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

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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).