(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C16H31N3O2 — CID 94378672

IUPAC(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)CN1CCC[C@@H](C(=O)N[C@H](C)CCC)C1
InChIInChI=1S/C16H31N3O2/c1-4-7-13(3)18-16(21)14-8-6-10-19(11-14)12-15(20)17-9-5-2/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyQJHLVOSQMHJGSR-ZIAGYGMSSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds8

About (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 94378672) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID94378672
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)CN1CCC[C@@H](C(=O)N[C@H](C)CCC)C1
InChIInChI=1S/C16H31N3O2/c1-4-7-13(3)18-16(21)14-8-6-10-19(11-14)12-15(20)17-9-5-2/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyQJHLVOSQMHJGSR-ZIAGYGMSSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
tert-butyl N-[2-[[1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944150
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 97307433
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78921362
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 94378672) is (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCCNC(=O)CN1CCC[C@@H](C(=O)N[C@H](C)CCC)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is QJHLVOSQMHJGSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-7-13(3)18-16(21)14-8-6-10-19(11-14)12-15(20)17-9-5-2/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94378672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).