(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide

C17H21N3O3 — CID 94811618

IUPAC(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)20-10-12(9-15(20)21)16(22)19-14-3-2-8-18-17(14)23/h4-7,12,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)/t12-,14-/m1/s1
InChIKeyKTIUTCYNRIXJQZ-TZMCWYRMSA-N
MW315.37 g/mol
LogP0.74
Rot. Bonds3

About (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 94811618) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID94811618
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)20-10-12(9-15(20)21)16(22)19-14-3-2-8-18-17(14)23/h4-7,12,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)/t12-,14-/m1/s1
InChIKeyKTIUTCYNRIXJQZ-TZMCWYRMSA-N
XLogP0.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-methylphenyl)-5-oxo-N-[(3S)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811620
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
CID 166342502
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56809033
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55534644
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97039990
(3R)-N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124813851

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide (CID 94811618) is (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is KTIUTCYNRIXJQZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)20-10-12(9-15(20)21)16(22)19-14-3-2-8-18-17(14)23/h4-7,12,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)/t12-,14-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94811618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).