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

C21H36N2O2 — CID 91910569

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CC1CCCC1)CC2
InChIInChI=1S/C21H36N2O2/c1-25-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(24)13-17-5-2-3-6-17/h17-19H,2-16H2,1H3
InChIKeyNDCYNNJOBHGPDY-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.31
Rot. Bonds5

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

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone (PubChem CID 91910569) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone
PubChem CID91910569
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CC1CCCC1)CC2
InChIInChI=1S/C21H36N2O2/c1-25-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(24)13-17-5-2-3-6-17/h17-19H,2-16H2,1H3
InChIKeyNDCYNNJOBHGPDY-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.31
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]-2-cyclopentylethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone (CID 91910569) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)CC1CCCC1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone?
The InChIKey is NDCYNNJOBHGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-25-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(24)13-17-5-2-3-6-17/h17-19H,2-16H2,1H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopentylethanone has a molecular weight of 348.53 g/mol, XLogP of 3.31, 5 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]-2-cyclopentylethanone is sourced from PubChem (CID 91910569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).