1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol

C20H33N3O2 — CID 75131573

IUPAC1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
SMILESCC1=CC(CN2CCC(O)CC2)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C20H33N3O2/c1-13(2)19-10-16(11-20-22-21-15(4)25-20)14(3)9-17(19)12-23-7-5-18(24)6-8-23/h9,13,16-19,24H,5-8,10-12H2,1-4H3
InChIKeyGNLJDPRAMBORKK-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.23
Rot. Bonds5

About 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol

1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol (PubChem CID 75131573) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
PubChem CID75131573
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
SMILESCC1=CC(CN2CCC(O)CC2)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C20H33N3O2/c1-13(2)19-10-16(11-20-22-21-15(4)25-20)14(3)9-17(19)12-23-7-5-18(24)6-8-23/h9,13,16-19,24H,5-8,10-12H2,1-4H3
InChIKeyGNLJDPRAMBORKK-UHFFFAOYSA-N
XLogP3.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol (CID 75131573) is 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol is CC1=CC(CN2CCC(O)CC2)C(C(C)C)CC1Cc1nnc(C)o1.
What is the InChIKey of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The InChIKey is GNLJDPRAMBORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)19-10-16(11-20-22-21-15(4)25-20)14(3)9-17(19)12-23-7-5-18(24)6-8-23/h9,13,16-19,24H,5-8,10-12H2,1-4H3.
What are the key properties of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol has a molecular weight of 347.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 75131573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).