N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H33N3O4 — CID 55676823

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC1=O
InChIInChI=1S/C27H33N3O4/c1-17-9-10-24(34-4)23(12-17)30-16-20(13-25(30)31)26(32)28-22-8-6-5-7-21(22)27(33)29-14-18(2)11-19(3)15-29/h5-10,12,18-20H,11,13-16H2,1-4H3,(H,28,32)
InChIKeyABGBDRHVDUVPFB-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55676823) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55676823
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC1=O
InChIInChI=1S/C27H33N3O4/c1-17-9-10-24(34-4)23(12-17)30-16-20(13-25(30)31)26(32)28-22-8-6-5-7-21(22)27(33)29-14-18(2)11-19(3)15-29/h5-10,12,18-20H,11,13-16H2,1-4H3,(H,28,32)
InChIKeyABGBDRHVDUVPFB-UHFFFAOYSA-N
XLogP4.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108788303
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55900330
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 43030785
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoic acid
CID 108801215
ethyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9395534
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55676823) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC1=O.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ABGBDRHVDUVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-17-9-10-24(34-4)23(12-17)30-16-20(13-25(30)31)26(32)28-22-8-6-5-7-21(22)27(33)29-14-18(2)11-19(3)15-29/h5-10,12,18-20H,11,13-16H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55676823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).