phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate

C18H19F3N4O2 — CID 118233953

IUPACphenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)cc(NC2CCNCC2)n1)Oc1ccccc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-10-15(23-13-6-8-22-9-7-13)24-16(11-12)25-17(26)27-14-4-2-1-3-5-14/h1-5,10-11,13,22H,6-9H2,(H2,23,24,25,26)
InChIKeyYIXKJHZLYVAKSO-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.88
Rot. Bonds4

About phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate

phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate (PubChem CID 118233953) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate
PubChem CID118233953
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Namephenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)cc(NC2CCNCC2)n1)Oc1ccccc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-10-15(23-13-6-8-22-9-7-13)24-16(11-12)25-17(26)27-14-4-2-1-3-5-14/h1-5,10-11,13,22H,6-9H2,(H2,23,24,25,26)
InChIKeyYIXKJHZLYVAKSO-UHFFFAOYSA-N
XLogP3.88
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate (CID 118233953) is phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate is O=C(Nc1cc(C(F)(F)F)cc(NC2CCNCC2)n1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The InChIKey is YIXKJHZLYVAKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)12-10-15(23-13-6-8-22-9-7-13)24-16(11-12)25-17(26)27-14-4-2-1-3-5-14/h1-5,10-11,13,22H,6-9H2,(H2,23,24,25,26).
What are the key properties of phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate has a molecular weight of 380.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118233953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).