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

C15H19ClN2O2 — CID 108566977

IUPAC2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C15H19ClN2O2/c1-11-4-2-3-5-13(11)15(20)18-8-6-12(7-9-18)17-14(19)10-16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyCXPPHDLHWMUBQP-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.95
Rot. Bonds3

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

2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108566977) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108566977
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C15H19ClN2O2/c1-11-4-2-3-5-13(11)15(20)18-8-6-12(7-9-18)17-14(19)10-16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyCXPPHDLHWMUBQP-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

N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide (CID 108566977) is 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide is Cc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is CXPPHDLHWMUBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-4-2-3-5-13(11)15(20)18-8-6-12(7-9-18)17-14(19)10-16/h2-5,12H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(2-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-(2-methylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108566977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).