4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C13H18ClFN2O — CID 119462898

IUPAC4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.ClH/c14-12-5-3-11(4-6-12)13(17)16-9-10-2-1-7-15-8-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17);1H
InChIKeyOTLKPWOLCDQALZ-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462898) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462898
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.ClH/c14-12-5-3-11(4-6-12)13(17)16-9-10-2-1-7-15-8-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17);1H
InChIKeyOTLKPWOLCDQALZ-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462898) is 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is OTLKPWOLCDQALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-12-5-3-11(4-6-12)13(17)16-9-10-2-1-7-15-8-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17);1H.
What are the key properties of 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).