2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide

C15H19ClN2O2 — CID 108566071

IUPAC2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)CCl)CC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(9-11)15(20)18-7-5-13(6-8-18)17-14(19)10-16/h2-4,9,13H,5-8,10H2,1H3,(H,17,19)
InChIKeyRMMHBUBZTKUHCG-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.95
Rot. Bonds3

About 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide

2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108566071) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108566071
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)CCl)CC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(9-11)15(20)18-7-5-13(6-8-18)17-14(19)10-16/h2-4,9,13H,5-8,10H2,1H3,(H,17,19)
InChIKeyRMMHBUBZTKUHCG-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 128926637
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide (CID 108566071) is 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide is Cc1cccc(C(=O)N2CCC(NC(=O)CCl)CC2)c1.
What is the InChIKey of 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is RMMHBUBZTKUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(9-11)15(20)18-7-5-13(6-8-18)17-14(19)10-16/h2-4,9,13H,5-8,10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 294.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108566071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).