1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

C21H30N2O3 — CID 45174530

IUPAC1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCC(C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCCC1=O
InChIInChI=1S/C21H30N2O3/c1-17(23-13-5-8-19(23)25)20(26)22-14-11-21(16-24,12-15-22)10-9-18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3
InChIKeyWVJREZNVBNJRRT-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.23
Rot. Bonds6

About 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (PubChem CID 45174530) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
PubChem CID45174530
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCC(C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCCC1=O
InChIInChI=1S/C21H30N2O3/c1-17(23-13-5-8-19(23)25)20(26)22-14-11-21(16-24,12-15-22)10-9-18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3
InChIKeyWVJREZNVBNJRRT-UHFFFAOYSA-N
XLogP2.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-{3-[3-Benzyl-3-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}-2-pyrrolidinone
CID 24790770
[1-But-2-ynoyl-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16192051
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
Ethyl 1-[2-(2-benzylpyrrolidin-1-yl)acetyl]piperidine-4-carboxylate
CID 47019446
[(7S,8R,8aS)-7-(hydroxymethyl)-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-cyclopropylmethanone
CID 118738657
[(7S,8R,8aS)-8-(hydroxymethyl)-7-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-cyclopropylmethanone
CID 118738668
1-[(7R,8S,8aS)-7-(hydroxymethyl)-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 118738669
2-[cyclopentyl(methyl)amino]-1-[(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 129580630
2-[cyclopentyl(methyl)amino]-1-[(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 129580632
Cambridge id 6982978
CID 44828373
1-[4-[2-Benzyl-2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 86771541
1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrrolidin-2-one
CID 26315164

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (CID 45174530) is 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is CC(C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCCC1=O.
What is the InChIKey of 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The InChIKey is WVJREZNVBNJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17(23-13-5-8-19(23)25)20(26)22-14-11-21(16-24,12-15-22)10-9-18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3.
What are the key properties of 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one has a molecular weight of 358.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45174530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).