propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate

C24H30F3N3O2S — CID 142135968

IUPACpropan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1CCN(c2cc(-c3ccc(SC(C)C)c(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C24H30F3N3O2S/c1-15(2)32-23(31)29-19-8-11-30(12-9-19)22-14-18(7-10-28-22)17-5-6-21(33-16(3)4)20(13-17)24(25,26)27/h5-7,10,13-16,19H,8-9,11-12H2,1-4H3,(H,29,31)
InChIKeyAGZZBKWEWDQVRA-UHFFFAOYSA-N
MW481.58 g/mol
LogP6.37
Rot. Bonds6

About propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate

propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 142135968) has the molecular formula C24H30F3N3O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID142135968
Molecular FormulaC24H30F3N3O2S
Molecular Weight481.58 g/mol
Exact Mass481.20
IUPAC Namepropan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1CCN(c2cc(-c3ccc(SC(C)C)c(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C24H30F3N3O2S/c1-15(2)32-23(31)29-19-8-11-30(12-9-19)22-14-18(7-10-28-22)17-5-6-21(33-16(3)4)20(13-17)24(25,26)27/h5-7,10,13-16,19H,8-9,11-12H2,1-4H3,(H,29,31)
InChIKeyAGZZBKWEWDQVRA-UHFFFAOYSA-N
XLogP6.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
formaldehyde;4-[4-(2-methoxyphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylpyridine
CID 142106417
4-[3-(1,1-difluoroethyl)-4-propan-2-ylsulfanylphenyl]-2-(3-ethyl-3-methylpiperidin-1-yl)pyridine;2,2,2-trifluoroacetic acid
CID 142135988
propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262003
1-cyclopropylpropan-2-yl N-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]carbamate
CID 151260385
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl 4-[[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 137472260
tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
CID 72573887

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 142135968) is propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate is CC(C)OC(=O)NC1CCN(c2cc(-c3ccc(SC(C)C)c(C(F)(F)F)c3)ccn2)CC1.
What is the InChIKey of propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is AGZZBKWEWDQVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2S/c1-15(2)32-23(31)29-19-8-11-30(12-9-19)22-14-18(7-10-28-22)17-5-6-21(33-16(3)4)20(13-17)24(25,26)27/h5-7,10,13-16,19H,8-9,11-12H2,1-4H3,(H,29,31).
What are the key properties of propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate?
propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 481.58 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[4-[4-propan-2-ylsulfanyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 142135968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).