N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide

C24H31ClN4O2 — CID 110659237

IUPACN-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n1C1CCCC1
InChIInChI=1S/C24H31ClN4O2/c1-17-14-22(18(2)29(17)21-8-3-4-9-21)23(30)16-27-10-12-28(13-11-27)24(31)26-20-7-5-6-19(25)15-20/h5-7,14-15,21H,3-4,8-13,16H2,1-2H3,(H,26,31)
InChIKeyWRXKDGKJOASILS-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.91
Rot. Bonds5

About N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 110659237) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID110659237
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC NameN-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n1C1CCCC1
InChIInChI=1S/C24H31ClN4O2/c1-17-14-22(18(2)29(17)21-8-3-4-9-21)23(30)16-27-10-12-28(13-11-27)24(31)26-20-7-5-6-19(25)15-20/h5-7,14-15,21H,3-4,8-13,16H2,1-2H3,(H,26,31)
InChIKeyWRXKDGKJOASILS-UHFFFAOYSA-N
XLogP4.91
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659197
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 110659214
4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110659261
1-[4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110659186
1-[4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110659195
4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659385
4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110659262
N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40605320
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 45352547
4-[2-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 110658943
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 110659089
1-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110659082

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide (CID 110659237) is N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide is Cc1cc(C(=O)CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n1C1CCCC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is WRXKDGKJOASILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-17-14-22(18(2)29(17)21-8-3-4-9-21)23(30)16-27-10-12-28(13-11-27)24(31)26-20-7-5-6-19(25)15-20/h5-7,14-15,21H,3-4,8-13,16H2,1-2H3,(H,26,31).
What are the key properties of N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110659237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).