2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone

C23H40N2O — CID 155872635

IUPAC2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)CCN(CC1CCCCC1)CC2)N1CCCC1
InChIInChI=1S/C23H40N2O/c26-22(25-14-4-5-15-25)18-20-8-10-23(11-9-20)12-16-24(17-13-23)19-21-6-2-1-3-7-21/h20-21H,1-19H2
InChIKeyLBNLXFHXFPLBNX-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.85
Rot. Bonds4

About 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone

2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 155872635) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
PubChem CID155872635
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)CCN(CC1CCCCC1)CC2)N1CCCC1
InChIInChI=1S/C23H40N2O/c26-22(25-14-4-5-15-25)18-20-8-10-23(11-9-20)12-16-24(17-13-23)19-21-6-2-1-3-7-21/h20-21H,1-19H2
InChIKeyLBNLXFHXFPLBNX-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
2-[3-[(1-methylimidazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 97451310
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 131654189
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(2,5-dihydropyrrol-1-yl)-2-[3-(oxan-4-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842140
2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 157039323
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone (CID 155872635) is 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCC2(CC1)CCN(CC1CCCCC1)CC2)N1CCCC1.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LBNLXFHXFPLBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c26-22(25-14-4-5-15-25)18-20-8-10-23(11-9-20)12-16-24(17-13-23)19-21-6-2-1-3-7-21/h20-21H,1-19H2.
What are the key properties of 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 360.59 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 155872635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).