[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C33H41N5O — CID 118666905

IUPAC[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN1CCN(CCCn2c3ccccc3c3ccc(C(=O)N4CCN(CCc5ccccc5)CC4)cc32)CC1
InChIInChI=1S/C33H41N5O/c1-34-18-20-35(21-19-34)15-7-16-38-31-11-6-5-10-29(31)30-13-12-28(26-32(30)38)33(39)37-24-22-36(23-25-37)17-14-27-8-3-2-4-9-27/h2-6,8-13,26H,7,14-25H2,1H3
InChIKeyUGZVHYOWXZBUNB-UHFFFAOYSA-N
MW523.73 g/mol
LogP4.43
Rot. Bonds8

About [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 118666905) has the molecular formula C33H41N5O and a molecular weight of 523.73 g/mol. Its IUPAC name is [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID118666905
Molecular FormulaC33H41N5O
Molecular Weight523.73 g/mol
Exact Mass523.33
IUPAC Name[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN1CCN(CCCn2c3ccccc3c3ccc(C(=O)N4CCN(CCc5ccccc5)CC4)cc32)CC1
InChIInChI=1S/C33H41N5O/c1-34-18-20-35(21-19-34)15-7-16-38-31-11-6-5-10-29(31)30-13-12-28(26-32(30)38)33(39)37-24-22-36(23-25-37)17-14-27-8-3-2-4-9-27/h2-6,8-13,26H,7,14-25H2,1H3
InChIKeyUGZVHYOWXZBUNB-UHFFFAOYSA-N
XLogP4.43
TPSA34.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.73
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[9-[3-(diethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666925
[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-3-yl]methanone
CID 118666931
[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
[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]amino]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666937
[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 118666883
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
7-(4-methylpiperazine-1-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3242683
[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
[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]amino]phenyl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 118666763
[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]amino]phenyl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 118666877
[3-[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]oxyphenyl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;hydrochloride
CID 171989994
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625

Frequently Asked Questions

What is the IUPAC name of [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 118666905) is [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is CN1CCN(CCCn2c3ccccc3c3ccc(C(=O)N4CCN(CCc5ccccc5)CC4)cc32)CC1.
What is the InChIKey of [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is UGZVHYOWXZBUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O/c1-34-18-20-35(21-19-34)15-7-16-38-31-11-6-5-10-29(31)30-13-12-28(26-32(30)38)33(39)37-24-22-36(23-25-37)17-14-27-8-3-2-4-9-27/h2-6,8-13,26H,7,14-25H2,1H3.
What are the key properties of [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 523.73 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118666905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).