4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C15H25N3O2 — CID 86268660

IUPAC4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC[C@H]2CN2CCCC2)CN1
InChIInChI=1S/C15H25N3O2/c19-14-9-12(10-16-14)15(20)18-8-2-1-5-13(18)11-17-6-3-4-7-17/h12-13H,1-11H2,(H,16,19)/t12?,13-/m0/s1
InChIKeyOUFBVUAOSJOOEZ-ABLWVSNPSA-N
MW279.38 g/mol
LogP0.60
Rot. Bonds3

About 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 86268660) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID86268660
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC[C@H]2CN2CCCC2)CN1
InChIInChI=1S/C15H25N3O2/c19-14-9-12(10-16-14)15(20)18-8-2-1-5-13(18)11-17-6-3-4-7-17/h12-13H,1-11H2,(H,16,19)/t12?,13-/m0/s1
InChIKeyOUFBVUAOSJOOEZ-ABLWVSNPSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 82705880
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
5-[2-(2-aminoethyl)piperidine-1-carbonyl]piperidin-2-one
CID 83192038
4-(2-cyclopentylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78983172
N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 78983261
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
(3R)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132410
(3S)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
CID 67720494
4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15132423
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 78992310

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 86268660) is 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC[C@H]2CN2CCCC2)CN1.
What is the InChIKey of 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OUFBVUAOSJOOEZ-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-14-9-12(10-16-14)15(20)18-8-2-1-5-13(18)11-17-6-3-4-7-17/h12-13H,1-11H2,(H,16,19)/t12?,13-/m0/s1.
What are the key properties of 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 86268660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).