N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H31N3O4 — CID 6497512

IUPACN-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C26H31N3O4/c1-17-4-7-21(8-5-17)29-16-20(15-24(29)30)26(32)28-12-10-19(11-13-28)25(31)27-22-14-18(2)6-9-23(22)33-3/h4-9,14,19-20H,10-13,15-16H2,1-3H3,(H,27,31)
InChIKeyZXAULXMKGWTYAN-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.54
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6497512) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID6497512
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C26H31N3O4/c1-17-4-7-21(8-5-17)29-16-20(15-24(29)30)26(32)28-12-10-19(11-13-28)25(31)27-22-14-18(2)6-9-23(22)33-3/h4-9,14,19-20H,10-13,15-16H2,1-3H3,(H,27,31)
InChIKeyZXAULXMKGWTYAN-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964118
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 40964149
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46589197

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 6497512) is N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZXAULXMKGWTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17-4-7-21(8-5-17)29-16-20(15-24(29)30)26(32)28-12-10-19(11-13-28)25(31)27-22-14-18(2)6-9-23(22)33-3/h4-9,14,19-20H,10-13,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6497512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).