[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone

C17H27N3O2S — CID 59436952

IUPAC[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1noc(C(=O)N2CCC(CN)CC2)c1SC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-19-12)17(21)20-9-7-13(11-18)8-10-20/h13-14H,2-11,18H2,1H3
InChIKeyBFMZOGHIJZYLDJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.22
Rot. Bonds4

About [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 59436952) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID59436952
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1noc(C(=O)N2CCC(CN)CC2)c1SC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-19-12)17(21)20-9-7-13(11-18)8-10-20/h13-14H,2-11,18H2,1H3
InChIKeyBFMZOGHIJZYLDJ-UHFFFAOYSA-N
XLogP3.22
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone (CID 59436952) is [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone is Cc1noc(C(=O)N2CCC(CN)CC2)c1SC1CCCCC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is BFMZOGHIJZYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-19-12)17(21)20-9-7-13(11-18)8-10-20/h13-14H,2-11,18H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 337.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 59436952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).