9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C20H32N2O3 — CID 131650241

IUPAC9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1CC1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1
InChIInChI=1S/C20H32N2O3/c1-15-13-17(15)18(23)21-9-6-20(7-10-21)5-2-8-22(19(20)24)14-16-3-11-25-12-4-16/h15-17H,2-14H2,1H3
InChIKeyAYTBJDOXGCSYCJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.30
Rot. Bonds3

About 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131650241) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131650241
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1CC1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1
InChIInChI=1S/C20H32N2O3/c1-15-13-17(15)18(23)21-9-6-20(7-10-21)5-2-8-22(19(20)24)14-16-3-11-25-12-4-16/h15-17H,2-14H2,1H3
InChIKeyAYTBJDOXGCSYCJ-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897609
(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897572
N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
CID 98897256
2-(oxan-4-ylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897114
9-[(2-methylpyrazol-3-yl)methyl]-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897092
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424492
(5S)-2-(5-chlorofuran-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97133928
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131650241) is 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is CC1CC1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1.
What is the InChIKey of 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is AYTBJDOXGCSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-13-17(15)18(23)21-9-6-20(7-10-21)5-2-8-22(19(20)24)14-16-3-11-25-12-4-16/h15-17H,2-14H2,1H3.
What are the key properties of 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 348.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131650241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).