cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone

C19H32N2O2 — CID 97484565

IUPACcyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESO=C(C1CCC1)N1CCCC2(CCN(C[C@@H]3CCCO3)CC2)C1
InChIInChI=1S/C19H32N2O2/c22-18(16-4-1-5-16)21-10-3-7-19(15-21)8-11-20(12-9-19)14-17-6-2-13-23-17/h16-17H,1-15H2/t17-/m0/s1
InChIKeySUJQHTLBNIRBOR-KRWDZBQOSA-N
MW320.48 g/mol
LogP2.67
Rot. Bonds3

About cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone

cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 97484565) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID97484565
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Namecyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESO=C(C1CCC1)N1CCCC2(CCN(C[C@@H]3CCCO3)CC2)C1
InChIInChI=1S/C19H32N2O2/c22-18(16-4-1-5-16)21-10-3-7-19(15-21)8-11-20(12-9-19)14-17-6-2-13-23-17/h16-17H,1-15H2/t17-/m0/s1
InChIKeySUJQHTLBNIRBOR-KRWDZBQOSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone with MolForge

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Related Compounds

2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 131654189
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484588
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(3-aminocyclopentyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 66008772
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937349

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone (CID 97484565) is cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone is O=C(C1CCC1)N1CCCC2(CCN(C[C@@H]3CCCO3)CC2)C1.
What is the InChIKey of cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is SUJQHTLBNIRBOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-18(16-4-1-5-16)21-10-3-7-19(15-21)8-11-20(12-9-19)14-17-6-2-13-23-17/h16-17H,1-15H2/t17-/m0/s1.
What are the key properties of cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 320.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 97484565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).