N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide

C15H19ClN2O2 — CID 108559266

IUPACN-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CCl)CC2)cc1
InChIInChI=1S/C15H19ClN2O2/c1-11-2-4-12(5-3-11)15(20)17-13-6-8-18(9-7-13)14(19)10-16/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyXMSQNOQVJQGYCG-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide

N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide (PubChem CID 108559266) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
PubChem CID108559266
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CCl)CC2)cc1
InChIInChI=1S/C15H19ClN2O2/c1-11-2-4-12(5-3-11)15(20)17-13-6-8-18(9-7-13)14(19)10-16/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyXMSQNOQVJQGYCG-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-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
CID 54204989
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide (CID 108559266) is N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)CCl)CC2)cc1.
What is the InChIKey of N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide?
The InChIKey is XMSQNOQVJQGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-2-4-12(5-3-11)15(20)17-13-6-8-18(9-7-13)14(19)10-16/h2-5,13H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide?
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide 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 N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 108559266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).