[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C122H145FN16O7 — CID 158803365

IUPAC[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc5c(c4)OCO5)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CCCN(C)C)CC2)cc1
InChIInChI=1S/C31H36N4O3.C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)13-5-14-35-27-7-4-3-6-25(27)26-21-24(9-10-28(26)35)31(36)34-18-16-33(17-19-34)15-12-23-8-11-29-30(20-23)38-22-37-29;1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-23-25(11-14-30(28)35)31(36)34-21-19-33(20-22-34)18-15-24-9-12-26(37-3)13-10-24;1-32(2)15-5-16-35-28-7-4-3-6-26(28)27-22-24(10-13-29(27)35)30(36)34-20-18-33(19-21-34)17-14-23-8-11-25(31)12-9-23;1-31(2)16-8-17-34-28-12-7-6-11-26(28)27-23-25(13-14-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h3-4,6-11,20-21H,5,12-19,22H2,1-2H3;4-5,7-14,23H,6,15-22H2,1-3H3;3-4,6-13,22H,5,14-21H2,1-2H3;3-7,9-14,23H,8,15-22H2,1-2H3
InChIKeyITTPKCDLSSNVAE-UHFFFAOYSA-N
MW1966.60 g/mol
LogP18.86
Rot. Bonds33

About [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 158803365) has the molecular formula C122H145FN16O7 and a molecular weight of 1966.60 g/mol. Its IUPAC name is [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID158803365
Molecular FormulaC122H145FN16O7
Molecular Weight1966.60 g/mol
Exact Mass1965.15
IUPAC Name[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc5c(c4)OCO5)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CCCN(C)C)CC2)cc1
InChIInChI=1S/C31H36N4O3.C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)13-5-14-35-27-7-4-3-6-25(27)26-21-24(9-10-28(26)35)31(36)34-18-16-33(17-19-34)15-12-23-8-11-29-30(20-23)38-22-37-29;1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-23-25(11-14-30(28)35)31(36)34-21-19-33(20-22-34)18-15-24-9-12-26(37-3)13-10-24;1-32(2)15-5-16-35-28-7-4-3-6-26(28)27-22-24(10-13-29(27)35)30(36)34-20-18-33(19-21-34)17-14-23-8-11-25(31)12-9-23;1-31(2)16-8-17-34-28-12-7-6-11-26(28)27-23-25(13-14-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h3-4,6-11,20-21H,5,12-19,22H2,1-2H3;4-5,7-14,23H,6,15-22H2,1-3H3;3-4,6-13,22H,5,14-21H2,1-2H3;3-7,9-14,23H,8,15-22H2,1-2H3
InChIKeyITTPKCDLSSNVAE-UHFFFAOYSA-N
XLogP18.86
TPSA154.57 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.60
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[9-[3-(dimethylamino)propyl]carbazol-2-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-2-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 158193911
[9-[3-(diethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(diethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 160768802
(E)-1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-3-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]prop-2-en-1-one;(E)-3-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]-1-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]prop-2-en-1-one;(E)-3-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]prop-2-en-1-one;(E)-3-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]prop-2-en-1-one
CID 159115846
[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-3-yl]methanone
CID 118666931
[9-[3-(diethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666925
[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666905
2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone
CID 162223812
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 129186980
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186935
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 158803365) is [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccc5c(c4)OCO5)CC3)ccc21.CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CCCN(C)C)CC2)cc1.
What is the InChIKey of [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is ITTPKCDLSSNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3.C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)13-5-14-35-27-7-4-3-6-25(27)26-21-24(9-10-28(26)35)31(36)34-18-16-33(17-19-34)15-12-23-8-11-29-30(20-23)38-22-37-29;1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-23-25(11-14-30(28)35)31(36)34-21-19-33(20-22-34)18-15-24-9-12-26(37-3)13-10-24;1-32(2)15-5-16-35-28-7-4-3-6-26(28)27-22-24(10-13-29(27)35)30(36)34-20-18-33(19-21-34)17-14-23-8-11-25(31)12-9-23;1-31(2)16-8-17-34-28-12-7-6-11-26(28)27-23-25(13-14-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h3-4,6-11,20-21H,5,12-19,22H2,1-2H3;4-5,7-14,23H,6,15-22H2,1-3H3;3-4,6-13,22H,5,14-21H2,1-2H3;3-7,9-14,23H,8,15-22H2,1-2H3.
What are the key properties of [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 1966.60 g/mol, XLogP of 18.86, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-[9-[3-(dimethylamino)propyl]carbazol-3-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158803365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).