4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide

C23H28F3N5O — CID 55793014

IUPAC4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)c1
InChIInChI=1S/C23H28F3N5O/c1-17-3-2-4-20(15-17)29-11-13-31(14-12-29)22(32)28-19-7-9-30(10-8-19)21-6-5-18(16-27-21)23(24,25)26/h2-6,15-16,19H,7-14H2,1H3,(H,28,32)
InChIKeyGHICRTKLOLZCGC-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.91
Rot. Bonds3

About 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide

4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 55793014) has the molecular formula C23H28F3N5O and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
PubChem CID55793014
Molecular FormulaC23H28F3N5O
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC Name4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)c1
InChIInChI=1S/C23H28F3N5O/c1-17-3-2-4-20(15-17)29-11-13-31(14-12-29)22(32)28-19-7-9-30(10-8-19)21-6-5-18(16-27-21)23(24,25)26/h2-6,15-16,19H,7-14H2,1H3,(H,28,32)
InChIKeyGHICRTKLOLZCGC-UHFFFAOYSA-N
XLogP3.91
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide;methane
CID 158663589
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616
4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide (CID 55793014) is 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide?
The InChIKey is GHICRTKLOLZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O/c1-17-3-2-4-20(15-17)29-11-13-31(14-12-29)22(32)28-19-7-9-30(10-8-19)21-6-5-18(16-27-21)23(24,25)26/h2-6,15-16,19H,7-14H2,1H3,(H,28,32).
What are the key properties of 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 55793014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).