N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride

C15H20ClFN2O — CID 169452700

IUPACN-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CC1)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C15H19FN2O.ClH/c16-14-4-1-11(15(19)18-12-2-3-12)9-13(14)10-5-7-17-8-6-10;/h1,4,9-10,12,17H,2-3,5-8H2,(H,18,19);1H
InChIKeyJYMTVAJNZBSETH-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.61
Rot. Bonds3

About N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride

N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 169452700) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
PubChem CID169452700
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CC1)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C15H19FN2O.ClH/c16-14-4-1-11(15(19)18-12-2-3-12)9-13(14)10-5-7-17-8-6-10;/h1,4,9-10,12,17H,2-3,5-8H2,(H,18,19);1H
InChIKeyJYMTVAJNZBSETH-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
CID 174859705
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride (CID 169452700) is N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CC1)c1ccc(F)c(C2CCNCC2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is JYMTVAJNZBSETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.ClH/c16-14-4-1-11(15(19)18-12-2-3-12)9-13(14)10-5-7-17-8-6-10;/h1,4,9-10,12,17H,2-3,5-8H2,(H,18,19);1H.
What are the key properties of N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride?
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 298.79 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 169452700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).