2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride

C15H27ClN2O2 — CID 155856169

IUPAC2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C15H26N2O2.ClH/c18-14(10-13-4-1-2-5-13)17-8-9-19-15(12-17)6-3-7-16-11-15;/h13,16H,1-12H2;1H
InChIKeyADYAQAJTKYQXCG-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride

2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride (PubChem CID 155856169) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
PubChem CID155856169
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C15H26N2O2.ClH/c18-14(10-13-4-1-2-5-13)17-8-9-19-15(12-17)6-3-7-16-11-15;/h13,16H,1-12H2;1H
InChIKeyADYAQAJTKYQXCG-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
(6S)-4-cyclohexyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372335
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
cyclopent-3-en-1-yl(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837038
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
CID 95718110
4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one
CID 126835299
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
CID 119067951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride (CID 155856169) is 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride is Cl.O=C(CC1CCCC1)N1CCOC2(CCCNC2)C1.
What is the InChIKey of 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride?
The InChIKey is ADYAQAJTKYQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.ClH/c18-14(10-13-4-1-2-5-13)17-8-9-19-15(12-17)6-3-7-16-11-15;/h13,16H,1-12H2;1H.
What are the key properties of 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride?
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 155856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).