3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride

C14H19ClF2N2O — CID 119386108

IUPAC3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCc1cccc(F)c1F)NC1CCNCC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-10(14(12)16)4-5-13(19)18-11-6-8-17-9-7-11;/h1-3,11,17H,4-9H2,(H,18,19);1H
InChIKeyGNKZYOLXQPLSPT-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.19
Rot. Bonds4

About 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride

3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119386108) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119386108
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCc1cccc(F)c1F)NC1CCNCC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-10(14(12)16)4-5-13(19)18-11-6-8-17-9-7-11;/h1-3,11,17H,4-9H2,(H,18,19);1H
InChIKeyGNKZYOLXQPLSPT-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
N-piperidin-4-yl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119389217
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
CID 138032018
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452021

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119386108) is 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride is Cl.O=C(CCc1cccc(F)c1F)NC1CCNCC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is GNKZYOLXQPLSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-10(14(12)16)4-5-13(19)18-11-6-8-17-9-7-11;/h1-3,11,17H,4-9H2,(H,18,19);1H.
What are the key properties of 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119386108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).