2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide

C20H21FN2O2 — CID 119460024

IUPAC2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-9-7-15(8-10-16)19(24)17-5-1-2-6-18(17)20(25)23-13-14-4-3-11-22-12-14/h1-2,5-10,14,22H,3-4,11-13H2,(H,23,25)
InChIKeyBKYIEULVZFDLGP-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide

2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119460024) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119460024
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-9-7-15(8-10-16)19(24)17-5-1-2-6-18(17)20(25)23-13-14-4-3-11-22-12-14/h1-2,5-10,14,22H,3-4,11-13H2,(H,23,25)
InChIKeyBKYIEULVZFDLGP-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide (CID 119460024) is 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide is O=C(NCC1CCCNC1)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is BKYIEULVZFDLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-9-7-15(8-10-16)19(24)17-5-1-2-6-18(17)20(25)23-13-14-4-3-11-22-12-14/h1-2,5-10,14,22H,3-4,11-13H2,(H,23,25).
What are the key properties of 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide?
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 340.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119460024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).