3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H37N3O3 — CID 70769551

IUPAC3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCCN1CC2(CCN(CCCO)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C20H37N3O3/c1-21(18-7-3-2-4-8-18)11-5-13-23-17-20(26-19(23)25)9-14-22(15-10-20)12-6-16-24/h18,24H,2-17H2,1H3
InChIKeyOGYZPNVIHDWXHH-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.31
Rot. Bonds8

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70769551) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70769551
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCCN1CC2(CCN(CCCO)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C20H37N3O3/c1-21(18-7-3-2-4-8-18)11-5-13-23-17-20(26-19(23)25)9-14-22(15-10-20)12-6-16-24/h18,24H,2-17H2,1H3
InChIKeyOGYZPNVIHDWXHH-UHFFFAOYSA-N
XLogP2.31
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70777554
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745840
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-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783189
8-cyclohexyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748725
3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 105485616
3-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95883003
3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95862402
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709572

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70769551) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCCN1CC2(CCN(CCCO)CC2)OC1=O)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OGYZPNVIHDWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-21(18-7-3-2-4-8-18)11-5-13-23-17-20(26-19(23)25)9-14-22(15-10-20)12-6-16-24/h18,24H,2-17H2,1H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 367.53 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70769551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).