1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

C15H21N3O3 — CID 103195267

IUPAC1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(OC)cc2N)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-6-5-11(21-2)8-13(12)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyRSMSDQYMDUXEJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195267) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103195267
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(OC)cc2N)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-6-5-11(21-2)8-13(12)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyRSMSDQYMDUXEJI-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'}

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Related Compounds

1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 103195267) is 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(OC)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is RSMSDQYMDUXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-6-5-11(21-2)8-13(12)16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
1-(2-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-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).