N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide

C13H23N3O2 — CID 119262246

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCCN1
InChIInChI=1S/C13H23N3O2/c17-12-6-3-9-16(12)10-4-8-15-13(18)11-5-1-2-7-14-11/h11,14H,1-10H2,(H,15,18)
InChIKeyNPIBSPNWSBDVJN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide (PubChem CID 119262246) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
PubChem CID119262246
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCCN1
InChIInChI=1S/C13H23N3O2/c17-12-6-3-9-16(12)10-4-8-15-13(18)11-5-1-2-7-14-11/h11,14H,1-10H2,(H,15,18)
InChIKeyNPIBSPNWSBDVJN-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262243
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119262248
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270388
(2R)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 113266351
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240
(2R)-N-(4-morpholin-4-ylbutyl)piperidine-2-carboxamide
CID 119852461
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide (CID 119262246) is N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide is O=C(NCCCN1CCCC1=O)C1CCCCN1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide?
The InChIKey is NPIBSPNWSBDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12-6-3-9-16(12)10-4-8-15-13(18)11-5-1-2-7-14-11/h11,14H,1-10H2,(H,15,18).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 119262246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).