N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide

C26H28FN3O — CID 46054943

IUPACN-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28FN3O/c1-2-20-5-11-24(12-6-20)30(26(31)22-7-9-23(27)10-8-22)25-13-16-29(17-14-25)19-21-4-3-15-28-18-21/h3-12,15,18,25H,2,13-14,16-17,19H2,1H3
InChIKeyLNGMOSYAAKZVTD-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.09
Rot. Bonds6

About N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide

N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 46054943) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
PubChem CID46054943
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28FN3O/c1-2-20-5-11-24(12-6-20)30(26(31)22-7-9-23(27)10-8-22)25-13-16-29(17-14-25)19-21-4-3-15-28-18-21/h3-12,15,18,25H,2,13-14,16-17,19H2,1H3
InChIKeyLNGMOSYAAKZVTD-UHFFFAOYSA-N
XLogP5.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
4-fluoro-N-(4-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46051946
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-[[4-[benzyl(methyl)amino]phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
CID 11238520

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide (CID 46054943) is N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide is CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is LNGMOSYAAKZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-2-20-5-11-24(12-6-20)30(26(31)22-7-9-23(27)10-8-22)25-13-16-29(17-14-25)19-21-4-3-15-28-18-21/h3-12,15,18,25H,2,13-14,16-17,19H2,1H3.
What are the key properties of N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide?
N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46054943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).