1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide

C11H19ClN2O2 — CID 62727603

IUPAC1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC(CCl)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C11H19ClN2O2/c1-7(5-12)11(16)14-6-9(10(13)15)4-3-8(14)2/h7-9H,3-6H2,1-2H3,(H2,13,15)
InChIKeyPRGVYTPPSLPWOE-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.97
Rot. Bonds3

About 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide

1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 62727603) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID62727603
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC(CCl)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C11H19ClN2O2/c1-7(5-12)11(16)14-6-9(10(13)15)4-3-8(14)2/h7-9H,3-6H2,1-2H3,(H2,13,15)
InChIKeyPRGVYTPPSLPWOE-UHFFFAOYSA-N
XLogP0.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.97
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

3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663
1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide (CID 62727603) is 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide is CC(CCl)C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is PRGVYTPPSLPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-7(5-12)11(16)14-6-9(10(13)15)4-3-8(14)2/h7-9H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide?
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 62727603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).