N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide

C10H17ClN2O2 — CID 43146357

IUPACN-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-4-3-5-8(2)13(7)10(15)12-9(14)6-11/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyRZRNOPXLPPJEPM-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.72
Rot. Bonds1

About N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide

N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 43146357) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
PubChem CID43146357
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC NameN-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-4-3-5-8(2)13(7)10(15)12-9(14)6-11/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyRZRNOPXLPPJEPM-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.72
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-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 115560990
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
N-(methoxymethyl)-2,6-dimethylpiperidine-1-carboxamide
CID 110675943
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide (CID 43146357) is N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide is CC1CCCC(C)N1C(=O)NC(=O)CCl.
What is the InChIKey of N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is RZRNOPXLPPJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7-4-3-5-8(2)13(7)10(15)12-9(14)6-11/h7-8H,3-6H2,1-2H3,(H,12,14,15).
What are the key properties of N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide?
N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 232.71 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 43146357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).