(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H34N4O2 — CID 97115757

IUPAC(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCCC2)CCC[C@@]12CCN(Cc1noc(C3CCCC3)n1)C2
InChIInChI=1S/C22H34N4O2/c27-21-22(11-6-13-26(21)18-9-2-1-3-10-18)12-14-25(16-22)15-19-23-20(28-24-19)17-7-4-5-8-17/h17-18H,1-16H2/t22-/m0/s1
InChIKeyWSEYZPAHYTYVSW-QFIPXVFZSA-N
MW386.54 g/mol
LogP3.87
Rot. Bonds4

About (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97115757) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97115757
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCCC2)CCC[C@@]12CCN(Cc1noc(C3CCCC3)n1)C2
InChIInChI=1S/C22H34N4O2/c27-21-22(11-6-13-26(21)18-9-2-1-3-10-18)12-14-25(16-22)15-19-23-20(28-24-19)17-7-4-5-8-17/h17-18H,1-16H2/t22-/m0/s1
InChIKeyWSEYZPAHYTYVSW-QFIPXVFZSA-N
XLogP3.87
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56906304
(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133364
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97156512
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938595
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97134259
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
(5S)-7-(cyclobutylmethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97129127

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97115757) is (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCCCC2)CCC[C@@]12CCN(Cc1noc(C3CCCC3)n1)C2.
What is the InChIKey of (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WSEYZPAHYTYVSW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-21-22(11-6-13-26(21)18-9-2-1-3-10-18)12-14-25(16-22)15-19-23-20(28-24-19)17-7-4-5-8-17/h17-18H,1-16H2/t22-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 386.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97115757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).