5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

C15H21N3O2 — CID 167899187

IUPAC5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C15H21N3O2/c19-14-4-3-12(9-17-14)15(20)18-7-1-2-13(10-18)11-5-6-16-8-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,17,19)
InChIKeyNKCMQDDCVWIMMM-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.84
Rot. Bonds2

About 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 167899187) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID167899187
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C15H21N3O2/c19-14-4-3-12(9-17-14)15(20)18-7-1-2-13(10-18)11-5-6-16-8-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,17,19)
InChIKeyNKCMQDDCVWIMMM-UHFFFAOYSA-N
XLogP0.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 154865644
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
CID 78989346
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 56866375
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (CID 167899187) is 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCC(C2CCNC2)C1.
What is the InChIKey of 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is NKCMQDDCVWIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14-4-3-12(9-17-14)15(20)18-7-1-2-13(10-18)11-5-6-16-8-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,17,19).
What are the key properties of 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 167899187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).