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

C9H15ClN2O2 — CID 43146337

IUPACN-(3-chloropropanoyl)piperidine-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c10-5-4-8(13)11-9(14)12-6-2-1-3-7-12/h1-7H2,(H,11,13,14)
InChIKeyGFULOTSRGNHNPH-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.34
Rot. Bonds2

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

N-(3-chloropropanoyl)piperidine-1-carboxamide (PubChem CID 43146337) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-(3-chloropropanoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)piperidine-1-carboxamide
PubChem CID43146337
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-(3-chloropropanoyl)piperidine-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c10-5-4-8(13)11-9(14)12-6-2-1-3-7-12/h1-7H2,(H,11,13,14)
InChIKeyGFULOTSRGNHNPH-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide
CID 130627534
N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide
CID 43146346
N-(2-aminoacetyl)piperidine-1-carboxamide
CID 70167153
N-(3-chloropropanoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 43620624
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
CID 83056300
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307
N-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)piperidine-1-carboxamide (CID 43146337) is N-(3-chloropropanoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)piperidine-1-carboxamide is O=C(CCCl)NC(=O)N1CCCCC1.
What is the InChIKey of N-(3-chloropropanoyl)piperidine-1-carboxamide?
The InChIKey is GFULOTSRGNHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c10-5-4-8(13)11-9(14)12-6-2-1-3-7-12/h1-7H2,(H,11,13,14).
What are the key properties of N-(3-chloropropanoyl)piperidine-1-carboxamide?
N-(3-chloropropanoyl)piperidine-1-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)piperidine-1-carboxamide is sourced from PubChem (CID 43146337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).