(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C29H30N4O3 — CID 41168785

IUPAC(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C29H30N4O3/c1-21-9-5-8-14-26(21)33-20-22(19-27(33)34)28(35)30-25-13-7-6-12-24(25)29(36)32-17-15-31(16-18-32)23-10-3-2-4-11-23/h2-14,22H,15-20H2,1H3,(H,30,35)/t22-/m1/s1
InChIKeyQZMWPPWLZFUKCQ-JOCHJYFZSA-N
MW482.58 g/mol
LogP3.95
Rot. Bonds5

About (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 41168785) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID41168785
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C29H30N4O3/c1-21-9-5-8-14-26(21)33-20-22(19-27(33)34)28(35)30-25-13-7-6-12-24(25)29(36)32-17-15-31(16-18-32)23-10-3-2-4-11-23/h2-14,22H,15-20H2,1H3,(H,30,35)/t22-/m1/s1
InChIKeyQZMWPPWLZFUKCQ-JOCHJYFZSA-N
XLogP3.95
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 29449322
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120978
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118806
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55676823

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 41168785) is (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QZMWPPWLZFUKCQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-21-9-5-8-14-26(21)33-20-22(19-27(33)34)28(35)30-25-13-7-6-12-24(25)29(36)32-17-15-31(16-18-32)23-10-3-2-4-11-23/h2-14,22H,15-20H2,1H3,(H,30,35)/t22-/m1/s1.
What are the key properties of (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 41168785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).