cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride

C16H27ClN2O2 — CID 171152294

IUPACcyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
SMILESCOCC1CN(C(=O)C2CC=CC2)CC12CCNCC2.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-20-11-14-10-18(15(19)13-4-2-3-5-13)12-16(14)6-8-17-9-7-16;/h2-3,13-14,17H,4-12H2,1H3;1H
InChIKeyYTBHGAZRXZEXGM-UHFFFAOYSA-N
MW314.86 g/mol
LogP1.85
Rot. Bonds3

About cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride

cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride (PubChem CID 171152294) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
PubChem CID171152294
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Namecyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
SMILESCOCC1CN(C(=O)C2CC=CC2)CC12CCNCC2.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-20-11-14-10-18(15(19)13-4-2-3-5-13)12-16(14)6-8-17-9-7-16;/h2-3,13-14,17H,4-12H2,1H3;1H
InChIKeyYTBHGAZRXZEXGM-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922119
4-(methoxymethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922024
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 97482154
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 146074245
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91921993
4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922025
cyclopent-3-en-1-yl-[(4R)-4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124789157
[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129498418
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
(3-hydroxycyclobutyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131682884
cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474688

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The IUPAC name of cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride (CID 171152294) is cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride is COCC1CN(C(=O)C2CC=CC2)CC12CCNCC2.Cl.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The InChIKey is YTBHGAZRXZEXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-20-11-14-10-18(15(19)13-4-2-3-5-13)12-16(14)6-8-17-9-7-16;/h2-3,13-14,17H,4-12H2,1H3;1H.
What are the key properties of cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride is sourced from PubChem (CID 171152294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).