2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C20H22ClFN2O2 — CID 120575467

IUPAC2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H21FN2O2.ClH/c1-13-18(7-4-12-22-13)23-20(25)17-6-3-2-5-16(17)19(24)14-8-10-15(21)11-9-14;/h2-3,5-6,8-11,13,18,22H,4,7,12H2,1H3,(H,23,25);1H
InChIKeyPQYDXKYVHIPWNY-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120575467) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120575467
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H21FN2O2.ClH/c1-13-18(7-4-12-22-13)23-20(25)17-6-3-2-5-16(17)19(24)14-8-10-15(21)11-9-14;/h2-3,5-6,8-11,13,18,22H,4,7,12H2,1H3,(H,23,25);1H
InChIKeyPQYDXKYVHIPWNY-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120575467) is 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is PQYDXKYVHIPWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.ClH/c1-13-18(7-4-12-22-13)23-20(25)17-6-3-2-5-16(17)19(24)14-8-10-15(21)11-9-14;/h2-3,5-6,8-11,13,18,22H,4,7,12H2,1H3,(H,23,25);1H.
What are the key properties of 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 376.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120575467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).