1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one

C25H31N3O3 — CID 172661366

IUPAC1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C25H31N3O3/c1-18-11-15-28(20-9-10-20)24(30)22(18)23(29)27-16-12-25(31,19-7-3-2-4-8-19)21(17-27)26-13-5-6-14-26/h2-4,7-8,11,15,20-21,31H,5-6,9-10,12-14,16-17H2,1H3/t21-,25+/m1/s1
InChIKeyAEBZNINHJKBJNQ-BWKNWUBXSA-N
MW421.54 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one

1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one (PubChem CID 172661366) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
PubChem CID172661366
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C25H31N3O3/c1-18-11-15-28(20-9-10-20)24(30)22(18)23(29)27-16-12-25(31,19-7-3-2-4-8-19)21(17-27)26-13-5-6-14-26/h2-4,7-8,11,15,20-21,31H,5-6,9-10,12-14,16-17H2,1H3/t21-,25+/m1/s1
InChIKeyAEBZNINHJKBJNQ-BWKNWUBXSA-N
XLogP2.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one with MolForge

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Related Compounds

[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 99768097
furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 156602389
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 156601702
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
CID 172657464
1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
CID 156601705
1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172656509
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130
3-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
CID 172658504
1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
CID 169412914
formic acid;[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 171710004
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170512055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one (CID 172661366) is 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one is Cc1ccn(C2CC2)c(=O)c1C(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one?
The InChIKey is AEBZNINHJKBJNQ-BWKNWUBXSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-11-15-28(20-9-10-20)24(30)22(18)23(29)27-16-12-25(31,19-7-3-2-4-8-19)21(17-27)26-13-5-6-14-26/h2-4,7-8,11,15,20-21,31H,5-6,9-10,12-14,16-17H2,1H3/t21-,25+/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one?
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one has a molecular weight of 421.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one is sourced from PubChem (CID 172661366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).