1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide

C15H21N3O3 — CID 61106425

IUPAC1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H21N3O3/c1-17-14(19)13-5-3-4-8-18(13)15(20)11-9-10(21-2)6-7-12(11)16/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyOQXVWOWNNHNSPW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide

1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 61106425) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
PubChem CID61106425
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H21N3O3/c1-17-14(19)13-5-3-4-8-18(13)15(20)11-9-10(21-2)6-7-12(11)16/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyOQXVWOWNNHNSPW-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-5-methoxyphenyl)methanone
CID 65321801
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078232
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61106763

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide (CID 61106425) is 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1cc(OC)ccc1N.
What is the InChIKey of 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is OQXVWOWNNHNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)13-5-3-4-8-18(13)15(20)11-9-10(21-2)6-7-12(11)16/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide?
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61106425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).