3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride

C15H18ClF2N3O2 — CID 141042021

IUPAC3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NC(=O)C(Cc1ccccn1)C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C15H17F2N3O2.ClH/c16-13(17)10-4-7-20(8-5-10)15(22)12(14(18)21)9-11-3-1-2-6-19-11;/h1-3,6,12H,4-5,7-9H2,(H2,18,21);1H
InChIKeyWWVDHVVOWZILHV-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.92
Rot. Bonds4

About 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride

3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 141042021) has the molecular formula C15H18ClF2N3O2 and a molecular weight of 345.78 g/mol. Its IUPAC name is 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride
PubChem CID141042021
Molecular FormulaC15H18ClF2N3O2
Molecular Weight345.78 g/mol
Exact Mass345.11
IUPAC Name3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NC(=O)C(Cc1ccccn1)C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C15H17F2N3O2.ClH/c16-13(17)10-4-7-20(8-5-10)15(22)12(14(18)21)9-11-3-1-2-6-19-11;/h1-3,6,12H,4-5,7-9H2,(H2,18,21);1H
InChIKeyWWVDHVVOWZILHV-UHFFFAOYSA-N
XLogP1.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 175942019
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
CID 21060504
1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110408656
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;tetrahydrochloride
CID 21060502
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride (CID 141042021) is 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride is Cl.NC(=O)C(Cc1ccccn1)C(=O)N1CCC(=C(F)F)CC1.
What is the InChIKey of 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is WWVDHVVOWZILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2.ClH/c16-13(17)10-4-7-20(8-5-10)15(22)12(14(18)21)9-11-3-1-2-6-19-11;/h1-3,6,12H,4-5,7-9H2,(H2,18,21);1H.
What are the key properties of 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride?
3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 345.78 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 141042021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).