4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide

C20H21F3N2O — CID 41453944

IUPAC4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)17-6-2-3-7-18(17)24-19(26)16-10-8-15(9-11-16)14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,24,26)
InChIKeyHDUQTFOITQNWJV-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.94
Rot. Bonds4

About 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide

4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 41453944) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID41453944
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)17-6-2-3-7-18(17)24-19(26)16-10-8-15(9-11-16)14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,24,26)
InChIKeyHDUQTFOITQNWJV-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 41453944) is 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HDUQTFOITQNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)17-6-2-3-7-18(17)24-19(26)16-10-8-15(9-11-16)14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,24,26).
What are the key properties of 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 41453944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).