5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one

C16H20N2O2 — CID 112728798

IUPAC5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2c2ccccc2)CN1
InChIInChI=1S/C16H20N2O2/c19-15-9-8-13(11-17-15)16(20)18-10-4-7-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)
InChIKeyFQLIPRRAMRDCAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds2

About 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one

5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 112728798) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID112728798
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2c2ccccc2)CN1
InChIInChI=1S/C16H20N2O2/c19-15-9-8-13(11-17-15)16(20)18-10-4-7-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)
InChIKeyFQLIPRRAMRDCAY-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one
CID 102679338
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one (CID 112728798) is 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCC2c2ccccc2)CN1.
What is the InChIKey of 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is FQLIPRRAMRDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-9-8-13(11-17-15)16(20)18-10-4-7-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19).
What are the key properties of 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one?
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 112728798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).