N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide

C23H29F3N4O — CID 56672789

IUPACN-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H29F3N4O/c1-22(2,3)29-21(31)30-13-10-19(11-14-30)28-20(17-5-4-12-27-15-17)16-6-8-18(9-7-16)23(24,25)26/h4-9,12,15,19-20,28H,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyGOCVBDJBURUEPZ-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.75
Rot. Bonds4

About N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide

N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide (PubChem CID 56672789) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
PubChem CID56672789
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC NameN-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H29F3N4O/c1-22(2,3)29-21(31)30-13-10-19(11-14-30)28-20(17-5-4-12-27-15-17)16-6-8-18(9-7-16)23(24,25)26/h4-9,12,15,19-20,28H,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyGOCVBDJBURUEPZ-UHFFFAOYSA-N
XLogP4.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-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

1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
1-Isoquinolin-5-yl-3-{1-[4-(trifluoromethyl)phenyl]ethyl}urea
CID 10473617
((R)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-
CID 90655362
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-(4-Methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4677493
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
3-methyl-3-phenyl-N-(4-(pyridin-2-yl)benzyl)piperidine-1-carboxamide
CID 46883510
1-[[3-(2-Phenylethynyl)phenyl]methyl]-3-propan-2-yl-1-[[3-(2-pyridin-3-ylethynyl)phenyl]methyl]urea
CID 122185529
1-[[2-[4-Benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea
CID 155510378
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide (CID 56672789) is N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1.
What is the InChIKey of N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide?
The InChIKey is GOCVBDJBURUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c1-22(2,3)29-21(31)30-13-10-19(11-14-30)28-20(17-5-4-12-27-15-17)16-6-8-18(9-7-16)23(24,25)26/h4-9,12,15,19-20,28H,10-11,13-14H2,1-3H3,(H,29,31).
What are the key properties of N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide?
N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 56672789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).