1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide

C14H17ClN2O2 — CID 43333364

IUPAC1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C14H17ClN2O2/c15-9-10-2-1-3-12(8-10)14(19)17-6-4-11(5-7-17)13(16)18/h1-3,8,11H,4-7,9H2,(H2,16,18)
InChIKeyBQGUSASRHUOTIA-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.76
Rot. Bonds3

About 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide

1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 43333364) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID43333364
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C14H17ClN2O2/c15-9-10-2-1-3-12(8-10)14(19)17-6-4-11(5-7-17)13(16)18/h1-3,8,11H,4-7,9H2,(H2,16,18)
InChIKeyBQGUSASRHUOTIA-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.76
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

1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[4-[3-(chloromethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone
CID 60950033
[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835706
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide (CID 43333364) is 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc(CCl)c2)CC1.
What is the InChIKey of 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BQGUSASRHUOTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-9-10-2-1-3-12(8-10)14(19)17-6-4-11(5-7-17)13(16)18/h1-3,8,11H,4-7,9H2,(H2,16,18).
What are the key properties of 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide?
1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43333364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).