N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide

C15H19F3N2O — CID 162554246

IUPACN-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)NC2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10(15(16,17)18)11-2-4-12(5-3-11)14(21)20-13-6-8-19-9-7-13/h2-5,10,13,19H,6-9H2,1H3,(H,20,21)
InChIKeySBIKJIMREOUFHT-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.83
Rot. Bonds3

About N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide

N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 162554246) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID162554246
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)NC2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10(15(16,17)18)11-2-4-12(5-3-11)14(21)20-13-6-8-19-9-7-13/h2-5,10,13,19H,6-9H2,1H3,(H,20,21)
InChIKeySBIKJIMREOUFHT-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390401
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-[(4S)-azepan-4-yl]benzamide
CID 146196053

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide (CID 162554246) is N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide is CC(c1ccc(C(=O)NC2CCNCC2)cc1)C(F)(F)F.
What is the InChIKey of N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is SBIKJIMREOUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(15(16,17)18)11-2-4-12(5-3-11)14(21)20-13-6-8-19-9-7-13/h2-5,10,13,19H,6-9H2,1H3,(H,20,21).
What are the key properties of N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide?
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 162554246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).