N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide

C19H21FN2O — CID 702501

IUPACN-(1-benzylpiperidin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKeyXQQCWHHHQWVAGC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.22
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide

N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide (PubChem CID 702501) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-fluorobenzamide
PubChem CID702501
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKeyXQQCWHHHQWVAGC-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide (CID 702501) is N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide?
The InChIKey is XQQCWHHHQWVAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide?
N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 702501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).