1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C21H26ClN3O3 — CID 119945115

IUPAC1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-15(7-9-17)14-23-20(25)16-10-12-24(13-11-16)21(26)18-4-2-3-5-19(18)22;/h2-9,16H,10-14,22H2,1H3,(H,23,25);1H
InChIKeyHAQDSCYECQLDQY-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119945115) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119945115
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-15(7-9-17)14-23-20(25)16-10-12-24(13-11-16)21(26)18-4-2-3-5-19(18)22;/h2-9,16H,10-14,22H2,1H3,(H,23,25);1H
InChIKeyHAQDSCYECQLDQY-UHFFFAOYSA-N
XLogP2.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119945115) is 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl.
What is the InChIKey of 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HAQDSCYECQLDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-15(7-9-17)14-23-20(25)16-10-12-24(13-11-16)21(26)18-4-2-3-5-19(18)22;/h2-9,16H,10-14,22H2,1H3,(H,23,25);1H.
What are the key properties of 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).