[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

C91H109FN12O4 — CID 158193911

IUPAC[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
SMILESCN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc21.CN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccccc4)CC3)cc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c5ccccc5n(CCCN(C)C)c4c3)CC2)cc1
InChIInChI=1S/C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-14-11-25(23-30(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)27-13-10-24(22-29(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)27-14-13-25(23-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h4-5,7-14,23H,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
InChIKeyGACJZQLEWRCHDF-UHFFFAOYSA-N
MW1453.95 g/mol
LogP14.39
Rot. Bonds25

About [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

[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 (PubChem CID 158193911) has the molecular formula C91H109FN12O4 and a molecular weight of 1453.95 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158193911
Molecular FormulaC91H109FN12O4
Molecular Weight1453.95 g/mol
Exact Mass1452.87
IUPAC Name[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
SMILESCN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc21.CN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccccc4)CC3)cc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c5ccccc5n(CCCN(C)C)c4c3)CC2)cc1
InChIInChI=1S/C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-14-11-25(23-30(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)27-13-10-24(22-29(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)27-14-13-25(23-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h4-5,7-14,23H,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
InChIKeyGACJZQLEWRCHDF-UHFFFAOYSA-N
XLogP14.39
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.95
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze [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 with MolForge

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Related Compounds

[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
[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
[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
[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-3-yl]methanone
CID 118666931
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
(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
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
[3-[[1-(3-chloropropyl)-2,3-dimethylindol-5-yl]methyl]phenyl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 118666822

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc21.CN(C)CCCn1c2ccccc2c2ccc(C(=O)N3CCN(CCc4ccccc4)CC3)cc21.COc1ccc(CCN2CCN(C(=O)c3ccc4c5ccccc5n(CCCN(C)C)c4c3)CC2)cc1.
What is the InChIKey of [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?
The InChIKey is GACJZQLEWRCHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2.C30H35FN4O.C30H36N4O/c1-32(2)16-6-17-35-29-8-5-4-7-27(29)28-14-11-25(23-30(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)27-13-10-24(22-29(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)27-14-13-25(23-29(27)34)30(35)33-21-19-32(20-22-33)18-15-24-9-4-3-5-10-24/h4-5,7-14,23H,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 [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?
[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 has a molecular weight of 1453.95 g/mol, XLogP of 14.39, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158193911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).