N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide

C24H29N3O4 — CID 20956106

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-17-3-7-20(8-4-17)24(30)27-13-11-19(12-14-27)23(29)26-16-22(28)25-15-18-5-9-21(31-2)10-6-18/h3-10,19H,11-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQOYBZAPEJLURBV-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.29
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 20956106) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
PubChem CID20956106
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-17-3-7-20(8-4-17)24(30)27-13-11-19(12-14-27)23(29)26-16-22(28)25-15-18-5-9-21(31-2)10-6-18/h3-10,19H,11-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQOYBZAPEJLURBV-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
CID 20956100
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 46472676
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide (CID 20956106) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide is COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is QOYBZAPEJLURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-3-7-20(8-4-17)24(30)27-13-11-19(12-14-27)23(29)26-16-22(28)25-15-18-5-9-21(31-2)10-6-18/h3-10,19H,11-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 20956106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).