N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide

C9H15ClN2O2 — CID 43146182

IUPACN-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O2/c1-7-3-2-4-12(6-7)9(14)11-8(13)5-10/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyUGTKTNZDBSXAFD-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.19
Rot. Bonds1

About N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide

N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide (PubChem CID 43146182) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
PubChem CID43146182
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O2/c1-7-3-2-4-12(6-7)9(14)11-8(13)5-10/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyUGTKTNZDBSXAFD-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.19
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-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 115560990
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 103500767
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
N-(3-chloropropyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108513687

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide (CID 43146182) is N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(=O)CCl)C1.
What is the InChIKey of N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is UGTKTNZDBSXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-7-3-2-4-12(6-7)9(14)11-8(13)5-10/h7H,2-6H2,1H3,(H,11,13,14).
What are the key properties of N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide?
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 43146182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).