1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C21H25N3O2 — CID 119759304

IUPAC1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(N)c3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14,22H2,1H3,(H,23,25)
InChIKeyJZZSFGWTEBWXFZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119759304) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID119759304
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(N)c3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14,22H2,1H3,(H,23,25)
InChIKeyJZZSFGWTEBWXFZ-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038
N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate
CID 86725196
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 119759304) is 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(N)c3)CC2)cc1.
What is the InChIKey of 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JZZSFGWTEBWXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14,22H2,1H3,(H,23,25).
What are the key properties of 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119759304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).