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

C21H25N3O4 — CID 119422420

IUPACN-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3N)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-11-15(12-17(13-16)28-2)21(26)24-9-7-14(8-10-24)20(25)23-19-6-4-3-5-18(19)22/h3-6,11-14H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyYUHFYPFBDITIHM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.78
Rot. Bonds5

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

N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 119422420) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID119422420
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3N)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-11-15(12-17(13-16)28-2)21(26)24-9-7-14(8-10-24)20(25)23-19-6-4-3-5-18(19)22/h3-6,11-14H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyYUHFYPFBDITIHM-UHFFFAOYSA-N
XLogP2.78
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.78
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

1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-(3,5-dimethoxybenzoyl)-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47045213
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 119422420) is N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3N)CC2)c1.
What is the InChIKey of N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is YUHFYPFBDITIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-16-11-15(12-17(13-16)28-2)21(26)24-9-7-14(8-10-24)20(25)23-19-6-4-3-5-18(19)22/h3-6,11-14H,7-10,22H2,1-2H3,(H,23,25).
What are the key properties of N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119422420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).