N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide

C15H21N3O2 — CID 61109681

IUPACN-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cccc(C)c2N)C1
InChIInChI=1S/C15H21N3O2/c1-10-5-3-7-13(14(10)16)15(20)18-8-4-6-12(9-18)17-11(2)19/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyAPEGHYSEJBLJLI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.32
Rot. Bonds2

About N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide

N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide (PubChem CID 61109681) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
PubChem CID61109681
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cccc(C)c2N)C1
InChIInChI=1S/C15H21N3O2/c1-10-5-3-7-13(14(10)16)15(20)18-8-4-6-12(9-18)17-11(2)19/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyAPEGHYSEJBLJLI-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.32
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

methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 61108163
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 104615269

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide (CID 61109681) is N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cccc(C)c2N)C1.
What is the InChIKey of N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide?
The InChIKey is APEGHYSEJBLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-5-3-7-13(14(10)16)15(20)18-8-4-6-12(9-18)17-11(2)19/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide?
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 61109681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).