1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide

C17H31N3O2 — CID 119763227

IUPAC1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-5-12(2)19-16(21)14-6-4-9-20(11-14)17(22)13-7-8-15(18)10-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)
InChIKeyHJLKIWWYAFUEEP-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds5

About 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 119763227) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID119763227
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-5-12(2)19-16(21)14-6-4-9-20(11-14)17(22)13-7-8-15(18)10-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)
InChIKeyHJLKIWWYAFUEEP-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 119763227) is 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)C2CCC(N)C2)C1.
What is the InChIKey of 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is HJLKIWWYAFUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-5-12(2)19-16(21)14-6-4-9-20(11-14)17(22)13-7-8-15(18)10-13/h12-15H,3-11,18H2,1-2H3,(H,19,21).
What are the key properties of 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119763227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).