1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

C15H21N3O3 — CID 103194101

IUPAC1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)11-4-3-7-18(9-11)15(20)10-5-6-13(21-2)12(16)8-10/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyUTDSHXFAQNIHRE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds3

About 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194101) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194101
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)11-4-3-7-18(9-11)15(20)10-5-6-13(21-2)12(16)8-10/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyUTDSHXFAQNIHRE-UHFFFAOYSA-N
XLogP0.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 103194101) is 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(OC)c(N)c2)C1.
What is the InChIKey of 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is UTDSHXFAQNIHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)11-4-3-7-18(9-11)15(20)10-5-6-13(21-2)12(16)8-10/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).