4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride

C17H30ClN3O2 — CID 119377515

IUPAC4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
SMILESCC1CCC(N2CC(C(=O)N3CCCC(N)C3)CC2=O)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-12-4-6-15(7-5-12)20-10-13(9-16(20)21)17(22)19-8-2-3-14(18)11-19;/h12-15H,2-11,18H2,1H3;1H
InChIKeyZAJQZBZQUYPLGD-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.79
Rot. Bonds2

About 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride

4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119377515) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
PubChem CID119377515
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
SMILESCC1CCC(N2CC(C(=O)N3CCCC(N)C3)CC2=O)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-12-4-6-15(7-5-12)20-10-13(9-16(20)21)17(22)19-8-2-3-14(18)11-19;/h12-15H,2-11,18H2,1H3;1H
InChIKeyZAJQZBZQUYPLGD-UHFFFAOYSA-N
XLogP1.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119635263
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119661802
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride (CID 119377515) is 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride is CC1CCC(N2CC(C(=O)N3CCCC(N)C3)CC2=O)CC1.Cl.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is ZAJQZBZQUYPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-12-4-6-15(7-5-12)20-10-13(9-16(20)21)17(22)19-8-2-3-14(18)11-19;/h12-15H,2-11,18H2,1H3;1H.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119377515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).