N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C23H27F3N4O3 — CID 22727570

IUPACN-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-16-15-29(20-19(23(24,25)26)3-2-10-27-20)11-12-30(16)21(31)28-18-6-4-17(5-7-18)22(32)8-13-33-14-9-22/h2-7,10,16,32H,8-9,11-15H2,1H3,(H,28,31)
InChIKeyKOZCJBHHZQKDIP-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 22727570) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID22727570
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC NameN-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-16-15-29(20-19(23(24,25)26)3-2-10-27-20)11-12-30(16)21(31)28-18-6-4-17(5-7-18)22(32)8-13-33-14-9-22/h2-7,10,16,32H,8-9,11-15H2,1H3,(H,28,31)
InChIKeyKOZCJBHHZQKDIP-UHFFFAOYSA-N
XLogP3.84
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]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

2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
(2R)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;methane
CID 160959250
(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
CID 51349069
4-(3-chloro-2-pyridinyl)-N-[4-(4-hydroxyoxan-4-yl)phenyl]piperazine-1-carboxamide
CID 142110737
[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
CID 15987211
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 85148067
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 70343124
(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 59912798
(2R)-4-[3-(fluoromethyl)-2-pyridinyl]-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)piperazine-1-carboxamide
CID 71016667
N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 20720906

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 22727570) is N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CC1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1ccc(C2(O)CCOCC2)cc1.
What is the InChIKey of N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is KOZCJBHHZQKDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-16-15-29(20-19(23(24,25)26)3-2-10-27-20)11-12-30(16)21(31)28-18-6-4-17(5-7-18)22(32)8-13-33-14-9-22/h2-7,10,16,32H,8-9,11-15H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 22727570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).