1-(3-chloropropanoyl)piperidine-3-carboxamide

C9H15ClN2O2 — CID 16785427

IUPAC1-(3-chloropropanoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C9H15ClN2O2/c10-4-3-8(13)12-5-1-2-7(6-12)9(11)14/h7H,1-6H2,(H2,11,14)
InChIKeyFRLJBDULRLYQCR-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.34
Rot. Bonds3

About 1-(3-chloropropanoyl)piperidine-3-carboxamide

1-(3-chloropropanoyl)piperidine-3-carboxamide (PubChem CID 16785427) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(3-chloropropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloropropanoyl)piperidine-3-carboxamide
PubChem CID16785427
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(3-chloropropanoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C9H15ClN2O2/c10-4-3-8(13)12-5-1-2-7(6-12)9(11)14/h7H,1-6H2,(H2,11,14)
InChIKeyFRLJBDULRLYQCR-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.34
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

(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819
1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570
tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
CID 106706926
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95293794
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-chloropropanoyl)piperidine-3-carboxamide (CID 16785427) is 1-(3-chloropropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloropropanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloropropanoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CCCl)C1.
What is the InChIKey of 1-(3-chloropropanoyl)piperidine-3-carboxamide?
The InChIKey is FRLJBDULRLYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c10-4-3-8(13)12-5-1-2-7(6-12)9(11)14/h7H,1-6H2,(H2,11,14).
What are the key properties of 1-(3-chloropropanoyl)piperidine-3-carboxamide?
1-(3-chloropropanoyl)piperidine-3-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 16785427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).