[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

C18H24N4OS — CID 124626295

IUPAC[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C)C1
InChIInChI=1S/C18H24N4OS/c1-13(2)24-16-9-5-4-8-15(16)18(23)22-10-6-7-14(11-22)17-20-19-12-21(17)3/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyIZEQDUSTQWIHKW-CQSZACIVSA-N
MW344.48 g/mol
LogP3.34
Rot. Bonds4

About [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone (PubChem CID 124626295) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
PubChem CID124626295
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C)C1
InChIInChI=1S/C18H24N4OS/c1-13(2)24-16-9-5-4-8-15(16)18(23)22-10-6-7-14(11-22)17-20-19-12-21(17)3/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyIZEQDUSTQWIHKW-CQSZACIVSA-N
XLogP3.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone with MolForge

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119491726
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119412080
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 154773758
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 97089224
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone (CID 124626295) is [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone is CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C)C1.
What is the InChIKey of [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is IZEQDUSTQWIHKW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(2)24-16-9-5-4-8-15(16)18(23)22-10-6-7-14(11-22)17-20-19-12-21(17)3/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 344.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 124626295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).