N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C19H21FN2O — CID 2728078

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-15(7-9-17)14-22-12-10-18(11-13-22)21-19(23)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,23)
InChIKeyNPFSWCMLZXAFGK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.22
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 2728078) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID2728078
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-15(7-9-17)14-22-12-10-18(11-13-22)21-19(23)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,23)
InChIKeyNPFSWCMLZXAFGK-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-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 2728078) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is NPFSWCMLZXAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-6-15(7-9-17)14-22-12-10-18(11-13-22)21-19(23)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,23).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide 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-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 2728078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).