(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide

C19H27N3O3 — CID 7244149

IUPAC(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-13-8-14(2)11-21(10-13)19(24)20-15-9-18(23)22(12-15)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyKYBKYQYGMZZYFD-RBSFLKMASA-N
MW345.44 g/mol
LogP2.49
Rot. Bonds3

About (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide

(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 7244149) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID7244149
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-13-8-14(2)11-21(10-13)19(24)20-15-9-18(23)22(12-15)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyKYBKYQYGMZZYFD-RBSFLKMASA-N
XLogP2.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
methyl 1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43969844
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
(1S,9S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 7533352
(3S,5R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7546893
(2S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7215317
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide (CID 7244149) is (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide is COc1ccc(N2C[C@H](NC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2=O)cc1.
What is the InChIKey of (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is KYBKYQYGMZZYFD-RBSFLKMASA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-8-14(2)11-21(10-13)19(24)20-15-9-18(23)22(12-15)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3,(H,20,24)/t13-,14-,15-/m1/s1.
What are the key properties of (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide?
(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 7244149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).