4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C17H22N2O3 — CID 110633189

IUPAC4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CO)C1
InChIInChI=1S/C17H22N2O3/c20-12-13-5-4-8-18(10-13)17(22)14-9-16(21)19(11-14)15-6-2-1-3-7-15/h1-3,6-7,13-14,20H,4-5,8-12H2
InChIKeyBYPCEDXGIGTIFT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.27
Rot. Bonds3

About 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 110633189) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID110633189
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CO)C1
InChIInChI=1S/C17H22N2O3/c20-12-13-5-4-8-18(10-13)17(22)14-9-16(21)19(11-14)15-6-2-1-3-7-15/h1-3,6-7,13-14,20H,4-5,8-12H2
InChIKeyBYPCEDXGIGTIFT-UHFFFAOYSA-N
XLogP1.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
4-ethyl-3-[[(3R)-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 100675396
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90642251
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 110633189) is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CO)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is BYPCEDXGIGTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-12-13-5-4-8-18(10-13)17(22)14-9-16(21)19(11-14)15-6-2-1-3-7-15/h1-3,6-7,13-14,20H,4-5,8-12H2.
What are the key properties of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110633189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).