4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide

C19H21FN2O — CID 91071189

IUPAC4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
SMILESNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H21FN2O/c20-17-13-16(19(21)23)6-7-18(17)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,23)
InChIKeyXDPUIIBOIYGCRS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.38
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide

4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide (PubChem CID 91071189) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
PubChem CID91071189
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
SMILESNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H21FN2O/c20-17-13-16(19(21)23)6-7-18(17)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,23)
InChIKeyXDPUIIBOIYGCRS-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
CID 80551926
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
CID 115307520
4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
CID 23826216
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
CID 69421337
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide
CID 5275300
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
CID 100633877

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide (CID 91071189) is 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide is NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide?
The InChIKey is XDPUIIBOIYGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-13-16(19(21)23)6-7-18(17)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,23).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide?
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 91071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).