N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C22H27N3O4 — CID 120568265

IUPACN-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(N)ccc3C)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-14-4-5-17(23)12-20(14)24-21(26)15-6-8-25(9-7-15)22(27)16-10-18(28-2)13-19(11-16)29-3/h4-5,10-13,15H,6-9,23H2,1-3H3,(H,24,26)
InChIKeyFGUDMWDPPOOYRH-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.09
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 120568265) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID120568265
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(N)ccc3C)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-14-4-5-17(23)12-20(14)24-21(26)15-6-8-25(9-7-15)22(27)16-10-18(28-2)13-19(11-16)29-3/h4-5,10-13,15H,6-9,23H2,1-3H3,(H,24,26)
InChIKeyFGUDMWDPPOOYRH-UHFFFAOYSA-N
XLogP3.09
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
1-(3,5-dimethoxybenzoyl)-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47045213
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 55796103
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 120568265) is N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(N)ccc3C)CC2)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is FGUDMWDPPOOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14-4-5-17(23)12-20(14)24-21(26)15-6-8-25(9-7-15)22(27)16-10-18(28-2)13-19(11-16)29-3/h4-5,10-13,15H,6-9,23H2,1-3H3,(H,24,26).
What are the key properties of N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 120568265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).