cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

C17H28N2O — CID 97493575

IUPACcyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCC1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C17H28N2O/c20-16(15-3-1-4-15)18-11-8-17(9-12-18)7-2-10-19(17)13-14-5-6-14/h14-15H,1-13H2
InChIKeyBODVHFMNVWSDIE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds3

About cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97493575) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97493575
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namecyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCC1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C17H28N2O/c20-16(15-3-1-4-15)18-11-8-17(9-12-18)7-2-10-19(17)13-14-5-6-14/h14-15H,1-13H2
InChIKeyBODVHFMNVWSDIE-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97493575) is cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(C1CCC1)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is BODVHFMNVWSDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(15-3-1-4-15)18-11-8-17(9-12-18)7-2-10-19(17)13-14-5-6-14/h14-15H,1-13H2.
What are the key properties of cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 276.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97493575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).