3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H33N5O2 — CID 70783189

IUPAC3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCN1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-23(17-5-3-2-4-6-17)13-14-25-16-20(27-19(25)26)7-11-24(12-8-20)15-18-21-9-10-22-18/h9-10,17H,2-8,11-16H2,1H3,(H,21,22)
InChIKeyZKZCFSQKORLZAT-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.46
Rot. Bonds6

About 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70783189) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70783189
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCN1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-23(17-5-3-2-4-6-17)13-14-25-16-20(27-19(25)26)7-11-24(12-8-20)15-18-21-9-10-22-18/h9-10,17H,2-8,11-16H2,1H3,(H,21,22)
InChIKeyZKZCFSQKORLZAT-UHFFFAOYSA-N
XLogP2.46
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1H-imidazol-2-ylmethyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70773746
8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781638
3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70739066
3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70769551
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70755788
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745840
3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70777554
N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124991686
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
CID 115371177
(8S,9aS)-8-[cyclohexylmethyl(methyl)amino]-1'-(1H-imidazol-2-ylmethyl)spiro[2,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-3,4'-piperidine]-1,5-dione
CID 155979009
3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720095

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70783189) is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCN1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O)C1CCCCC1.
What is the InChIKey of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZKZCFSQKORLZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-23(17-5-3-2-4-6-17)13-14-25-16-20(27-19(25)26)7-11-24(12-8-20)15-18-21-9-10-22-18/h9-10,17H,2-8,11-16H2,1H3,(H,21,22).
What are the key properties of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 375.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70783189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).