N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C21H31N3O3 — CID 24817637

IUPACN-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)c(C)c1C
InChIInChI=1S/C21H31N3O3/c1-14-15(2)19(27-3)9-8-16(14)13-24-11-10-22-21(26)18(24)12-20(25)23-17-6-4-5-7-17/h8-9,17-18H,4-7,10-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXDQJCIYVURZVJH-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.06
Rot. Bonds6

About N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24817637) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24817637
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)c(C)c1C
InChIInChI=1S/C21H31N3O3/c1-14-15(2)19(27-3)9-8-16(14)13-24-11-10-22-21(26)18(24)12-20(25)23-17-6-4-5-7-17/h8-9,17-18H,4-7,10-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXDQJCIYVURZVJH-UHFFFAOYSA-N
XLogP2.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

inhibitor 23 [PMID: 29614224]
CID 133081968
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CID 2215150
(S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile
CID 24784915
(S)-1-[(S)-2-Amino-4-(1-tert-butyl-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile
CID 24784916
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-(2-methylbutanoyl)piperidine-4-carboxamide
CID 137362044
1-butanoyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362374
1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362889
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide
CID 137363716
3-[(4-Methoxybenzyl)amino]-1-methylpyrrolidine-2,5-dione
CID 2858584
(2S)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
CID 10251078

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24817637) is N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)c(C)c1C.
What is the InChIKey of N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is XDQJCIYVURZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-15(2)19(27-3)9-8-16(14)13-24-11-10-22-21(26)18(24)12-20(25)23-17-6-4-5-7-17/h8-9,17-18H,4-7,10-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24817637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).