N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide

C14H18ClN3O2 — CID 108562448

IUPACN-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCC(Cl)C(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(15)14(20)18-8-4-12(5-9-18)17-13(19)11-2-6-16-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,19)
InChIKeyQJTKEQYLNVGILV-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.43
Rot. Bonds3

About N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 108562448) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID108562448
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCC(Cl)C(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(15)14(20)18-8-4-12(5-9-18)17-13(19)11-2-6-16-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,19)
InChIKeyQJTKEQYLNVGILV-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide (CID 108562448) is N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide is CC(Cl)C(=O)N1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is QJTKEQYLNVGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(15)14(20)18-8-4-12(5-9-18)17-13(19)11-2-6-16-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 108562448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).