1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

C15H21N3O3 — CID 103194108

IUPAC1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2c(N)cccc2OC)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-5-4-8-18(9-10)15(20)13-11(16)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyNZAFVZJSJRLPLY-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194108) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194108
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2c(N)cccc2OC)C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-5-4-8-18(9-10)15(20)13-11(16)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyNZAFVZJSJRLPLY-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-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
(2-amino-6-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81395791
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 81420432
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 103194108) is 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2c(N)cccc2OC)C1.
What is the InChIKey of 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is NZAFVZJSJRLPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)10-5-4-8-18(9-10)15(20)13-11(16)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-6-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-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).