N-(2-chloropropanoyl)piperidine-1-carboxamide

C9H15ClN2O2 — CID 43146338

IUPACN-(2-chloropropanoyl)piperidine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c1-7(10)8(13)11-9(14)12-5-3-2-4-6-12/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyVPRMGTONONLMGK-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.34
Rot. Bonds1

About N-(2-chloropropanoyl)piperidine-1-carboxamide

N-(2-chloropropanoyl)piperidine-1-carboxamide (PubChem CID 43146338) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-(2-chloropropanoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)piperidine-1-carboxamide
PubChem CID43146338
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-(2-chloropropanoyl)piperidine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c1-7(10)8(13)11-9(14)12-5-3-2-4-6-12/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyVPRMGTONONLMGK-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.34
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

N-(2-chloropropanoyl)azetidine-1-carboxamide
CID 126980646
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
4-butan-2-yl-N-(2-chloropropanoyl)piperazine-1-carboxamide
CID 62778045
ethyl 1-(2-chloropropanoylcarbamoyl)piperidine-4-carboxylate
CID 43328968
N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
CID 43593160
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 44549258
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropanoyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)piperidine-1-carboxamide (CID 43146338) is N-(2-chloropropanoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)piperidine-1-carboxamide is CC(Cl)C(=O)NC(=O)N1CCCCC1.
What is the InChIKey of N-(2-chloropropanoyl)piperidine-1-carboxamide?
The InChIKey is VPRMGTONONLMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-7(10)8(13)11-9(14)12-5-3-2-4-6-12/h7H,2-6H2,1H3,(H,11,13,14).
What are the key properties of N-(2-chloropropanoyl)piperidine-1-carboxamide?
N-(2-chloropropanoyl)piperidine-1-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)piperidine-1-carboxamide is sourced from PubChem (CID 43146338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).