1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one

C19H32N4O3 — CID 56755210

IUPAC1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C19H32N4O3/c1-15-20-17(21-26-15)13-22(2)14-19(25)10-6-11-23(18(19)24)12-9-16-7-4-3-5-8-16/h16,25H,3-14H2,1-2H3
InChIKeyDUTQPPZRCLEVFA-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.13
Rot. Bonds7

About 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one

1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 56755210) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
PubChem CID56755210
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C19H32N4O3/c1-15-20-17(21-26-15)13-22(2)14-19(25)10-6-11-23(18(19)24)12-9-16-7-4-3-5-8-16/h16,25H,3-14H2,1-2H3
InChIKeyDUTQPPZRCLEVFA-UHFFFAOYSA-N
XLogP2.13
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one (CID 56755210) is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one is Cc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is DUTQPPZRCLEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15-20-17(21-26-15)13-22(2)14-19(25)10-6-11-23(18(19)24)12-9-16-7-4-3-5-8-16/h16,25H,3-14H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 56755210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).