N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide

C12H21ClN2O2 — CID 83056300

IUPACN-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)NC(=O)CCCl
InChIInChI=1S/C12H21ClN2O2/c1-2-5-10-6-3-4-9-15(10)12(17)14-11(16)7-8-13/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeyOKABHHKHFJUETD-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.51
Rot. Bonds4

About N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide

N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide (PubChem CID 83056300) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
PubChem CID83056300
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC NameN-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)NC(=O)CCCl
InChIInChI=1S/C12H21ClN2O2/c1-2-5-10-6-3-4-9-15(10)12(17)14-11(16)7-8-13/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeyOKABHHKHFJUETD-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.51
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-propylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide (CID 83056300) is N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide is CCCC1CCCCN1C(=O)NC(=O)CCCl.
What is the InChIKey of N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide?
The InChIKey is OKABHHKHFJUETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-2-5-10-6-3-4-9-15(10)12(17)14-11(16)7-8-13/h10H,2-9H2,1H3,(H,14,16,17).
What are the key properties of N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide?
N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide has a molecular weight of 260.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide is sourced from PubChem (CID 83056300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).