1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C25H31N3O6 — CID 46472676

IUPAC1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)c1
InChIInChI=1S/C25H31N3O6/c1-16-5-6-22(34-4)21(11-16)27-23(29)15-26-24(30)17-7-9-28(10-8-17)25(31)18-12-19(32-2)14-20(13-18)33-3/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAUZJOBIMSIPNEG-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.63
Rot. Bonds8

About 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 46472676) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID46472676
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)c1
InChIInChI=1S/C25H31N3O6/c1-16-5-6-22(34-4)21(11-16)27-23(29)15-26-24(30)17-7-9-28(10-8-17)25(31)18-12-19(32-2)14-20(13-18)33-3/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAUZJOBIMSIPNEG-UHFFFAOYSA-N
XLogP2.63
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472906
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044952
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 46472676) is 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is AUZJOBIMSIPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-16-5-6-22(34-4)21(11-16)27-23(29)15-26-24(30)17-7-9-28(10-8-17)25(31)18-12-19(32-2)14-20(13-18)33-3/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46472676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).