N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide

C11H19ClN2O2 — CID 43584861

IUPACN-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC(=O)CCCl)C1
InChIInChI=1S/C11H19ClN2O2/c1-2-9-4-3-7-14(8-9)11(16)13-10(15)5-6-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyCPOPLDRFMUVHJD-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.97
Rot. Bonds3

About N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide

N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide (PubChem CID 43584861) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide
PubChem CID43584861
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC(=O)CCCl)C1
InChIInChI=1S/C11H19ClN2O2/c1-2-9-4-3-7-14(8-9)11(16)13-10(15)5-6-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyCPOPLDRFMUVHJD-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 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 ≤ 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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Related Compounds

N-(3-chloropropanoyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 65530033
N-(2-chloropropanoyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 65532740
N-(3-chloropropanoyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 65532932
N-(2-chloropropanoyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 65532933
N-[(2-Ethylbutanoyl)carbamoyl]piperidine-1-carboxamide
CID 12948259
1-(6-Chlorohexyl)-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 13177933
N-Acetyl-4-methyl-1-piperidinecarboxamide
CID 13442636
3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide
CID 43089768
1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide
CID 43146141
1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide
CID 43146142
N-(3-chloropropanoyl)-4-methylpiperidine-1-carboxamide
CID 43146145
N-(2-chloropropanoyl)-4-methylpiperidine-1-carboxamide
CID 43146146

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide (CID 43584861) is N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide is CCC1CCCN(C(=O)NC(=O)CCCl)C1.
What is the InChIKey of N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide?
The InChIKey is CPOPLDRFMUVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-2-9-4-3-7-14(8-9)11(16)13-10(15)5-6-12/h9H,2-8H2,1H3,(H,13,15,16).
What are the key properties of N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide?
N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-3-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 43584861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).