4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one

C18H31N3O2 — CID 45224667

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESCC(=O)N1CCC(NC2CC(=O)N(CC3CCCCC3)C2)CC1
InChIInChI=1S/C18H31N3O2/c1-14(22)20-9-7-16(8-10-20)19-17-11-18(23)21(13-17)12-15-5-3-2-4-6-15/h15-17,19H,2-13H2,1H3
InChIKeyMJIZQSDKWOKKGH-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.77
Rot. Bonds4

About 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one

4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one (PubChem CID 45224667) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
PubChem CID45224667
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESCC(=O)N1CCC(NC2CC(=O)N(CC3CCCCC3)C2)CC1
InChIInChI=1S/C18H31N3O2/c1-14(22)20-9-7-16(8-10-20)19-17-11-18(23)21(13-17)12-15-5-3-2-4-6-15/h15-17,19H,2-13H2,1H3
InChIKeyMJIZQSDKWOKKGH-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44306586
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
N-[3-(2,2,4,6-tetramethyl-1-piperidinyl)propyl]-2-oxo-1-pyrrolidineacetamide
CID 44374688
1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 3236747
1-Cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 5090456
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 21327793
(2S)-2-[[(2S)-2-[(3S)-3-(3-cyclohexylpropylamino)-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44306722
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]acetamide
CID 44374475
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 44374571
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374687

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one (CID 45224667) is 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one is CC(=O)N1CCC(NC2CC(=O)N(CC3CCCCC3)C2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The InChIKey is MJIZQSDKWOKKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(22)20-9-7-16(8-10-20)19-17-11-18(23)21(13-17)12-15-5-3-2-4-6-15/h15-17,19H,2-13H2,1H3.
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one has a molecular weight of 321.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 45224667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).