N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide

C11H19ClN2O2 — CID 62122756

IUPACN-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCCl)C1C
InChIInChI=1S/C11H19ClN2O2/c1-8-4-3-7-14(9(8)2)11(16)13-10(15)5-6-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyNHUIEQSDJXERIB-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.97
Rot. Bonds2

About N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide

N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 62122756) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide
PubChem CID62122756
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCCl)C1C
InChIInChI=1S/C11H19ClN2O2/c1-8-4-3-7-14(9(8)2)11(16)13-10(15)5-6-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyNHUIEQSDJXERIB-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide (CID 62122756) is N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(=O)CCCl)C1C.
What is the InChIKey of N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is NHUIEQSDJXERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-8-4-3-7-14(9(8)2)11(16)13-10(15)5-6-12/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide?
N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 62122756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).