1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide

C19H32N4O3 — CID 162798577

IUPAC1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(N2CCCC2C(=O)N2CCN(C(C)=O)CC2)CCCCC1
InChIInChI=1S/C19H32N4O3/c1-15(24)21-11-13-22(14-12-21)17(25)16-7-6-10-23(16)19(18(26)20-2)8-4-3-5-9-19/h16H,3-14H2,1-2H3,(H,20,26)
InChIKeyGDCWIPSFDCQPFP-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.59
Rot. Bonds3

About 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide

1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 162798577) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID162798577
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(N2CCCC2C(=O)N2CCN(C(C)=O)CC2)CCCCC1
InChIInChI=1S/C19H32N4O3/c1-15(24)21-11-13-22(14-12-21)17(25)16-7-6-10-23(16)19(18(26)20-2)8-4-3-5-9-19/h16H,3-14H2,1-2H3,(H,20,26)
InChIKeyGDCWIPSFDCQPFP-UHFFFAOYSA-N
XLogP0.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124995488
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 53015439
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899528
2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
CID 162792772
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide (CID 162798577) is 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(N2CCCC2C(=O)N2CCN(C(C)=O)CC2)CCCCC1.
What is the InChIKey of 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GDCWIPSFDCQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15(24)21-11-13-22(14-12-21)17(25)16-7-6-10-23(16)19(18(26)20-2)8-4-3-5-9-19/h16H,3-14H2,1-2H3,(H,20,26).
What are the key properties of 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide?
1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 162798577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).