3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H35N5O3 — CID 70739066

IUPAC3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nnc(CN2CCC3(CC2)CN(CCCN(C)C2CCCCC2)C(=O)O3)o1
InChIInChI=1S/C21H35N5O3/c1-17-22-23-19(28-17)15-25-13-9-21(10-14-25)16-26(20(27)29-21)12-6-11-24(2)18-7-4-3-5-8-18/h18H,3-16H2,1-2H3
InChIKeyBLWRPVASQDKJPD-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.82
Rot. Bonds7

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70739066) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70739066
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nnc(CN2CCC3(CC2)CN(CCCN(C)C2CCCCC2)C(=O)O3)o1
InChIInChI=1S/C21H35N5O3/c1-17-22-23-19(28-17)15-25-13-9-21(10-14-25)16-26(20(27)29-21)12-6-11-24(2)18-7-4-3-5-8-18/h18H,3-16H2,1-2H3
InChIKeyBLWRPVASQDKJPD-UHFFFAOYSA-N
XLogP2.82
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70739066) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nnc(CN2CCC3(CC2)CN(CCCN(C)C2CCCCC2)C(=O)O3)o1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BLWRPVASQDKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-17-22-23-19(28-17)15-25-13-9-21(10-14-25)16-26(20(27)29-21)12-6-11-24(2)18-7-4-3-5-8-18/h18H,3-16H2,1-2H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 405.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70739066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).