1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one

C22H38N2O2 — CID 91922339

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C22H38N2O2/c1-26-16-19-15-24(20-7-4-8-20)17-22(19)11-13-23(14-12-22)21(25)10-9-18-5-2-3-6-18/h18-20H,2-17H2,1H3
InChIKeyWYDWNIVPYPGJOO-UHFFFAOYSA-N
MW362.56 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one (PubChem CID 91922339) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one
PubChem CID91922339
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C22H38N2O2/c1-26-16-19-15-24(20-7-4-8-20)17-22(19)11-13-23(14-12-22)21(25)10-9-18-5-2-3-6-18/h18-20H,2-17H2,1H3
InChIKeyWYDWNIVPYPGJOO-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one (CID 91922339) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one is COCC1CN(C2CCC2)CC12CCN(C(=O)CCC1CCCC1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one?
The InChIKey is WYDWNIVPYPGJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-26-16-19-15-24(20-7-4-8-20)17-22(19)11-13-23(14-12-22)21(25)10-9-18-5-2-3-6-18/h18-20H,2-17H2,1H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one has a molecular weight of 362.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 91922339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).