(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one

C28H31N3O2 — CID 42407319

IUPAC(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CC[C@](CCC(=O)N2CCCC[C@@H]2c2cccnc2)(Cc2cccc3ccccc23)N1
InChIInChI=1S/C28H31N3O2/c32-26-13-15-28(30-26,19-22-9-5-8-21-7-1-2-11-24(21)22)16-14-27(33)31-18-4-3-12-25(31)23-10-6-17-29-20-23/h1-2,5-11,17,20,25H,3-4,12-16,18-19H2,(H,30,32)/t25-,28+/m1/s1
InChIKeyIOLNHGJUTJMMLZ-NAKRPHOHSA-N
MW441.58 g/mol
LogP4.96
Rot. Bonds6

About (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one

(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 42407319) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID42407319
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CC[C@](CCC(=O)N2CCCC[C@@H]2c2cccnc2)(Cc2cccc3ccccc23)N1
InChIInChI=1S/C28H31N3O2/c32-26-13-15-28(30-26,19-22-9-5-8-21-7-1-2-11-24(21)22)16-14-27(33)31-18-4-3-12-25(31)23-10-6-17-29-20-23/h1-2,5-11,17,20,25H,3-4,12-16,18-19H2,(H,30,32)/t25-,28+/m1/s1
InChIKeyIOLNHGJUTJMMLZ-NAKRPHOHSA-N
XLogP4.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42323302
(5S)-5-[3-[4-[(R)-hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42172036
3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 162976309
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45235007
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 42479662

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one (CID 42407319) is (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one is O=C1CC[C@](CCC(=O)N2CCCC[C@@H]2c2cccnc2)(Cc2cccc3ccccc23)N1.
What is the InChIKey of (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is IOLNHGJUTJMMLZ-NAKRPHOHSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-26-13-15-28(30-26,19-22-9-5-8-21-7-1-2-11-24(21)22)16-14-27(33)31-18-4-3-12-25(31)23-10-6-17-29-20-23/h1-2,5-11,17,20,25H,3-4,12-16,18-19H2,(H,30,32)/t25-,28+/m1/s1.
What are the key properties of (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one?
(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 441.58 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 42407319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).