ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C22H42N2O — CID 169258026

IUPACethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC.CC(C)C1CCN(C(=O)C2CCC3(CC2)CCN(C)CC3)CC1
InChIInChI=1S/C20H36N2O.C2H6/c1-16(2)17-6-12-22(13-7-17)19(23)18-4-8-20(9-5-18)10-14-21(3)15-11-20;1-2/h16-18H,4-15H2,1-3H3;1-2H3
InChIKeyYVENSMLNFUNMSO-UHFFFAOYSA-N
MW350.59 g/mol
LogP4.81
Rot. Bonds2

About ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 169258026) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID169258026
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Nameethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC.CC(C)C1CCN(C(=O)C2CCC3(CC2)CCN(C)CC3)CC1
InChIInChI=1S/C20H36N2O.C2H6/c1-16(2)17-6-12-22(13-7-17)19(23)18-4-8-20(9-5-18)10-14-21(3)15-11-20;1-2/h16-18H,4-15H2,1-3H3;1-2H3
InChIKeyYVENSMLNFUNMSO-UHFFFAOYSA-N
XLogP4.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 169257517
3-methyl-3-azaspiro[5.5]undecane-9-carboxamide
CID 59505677
1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 169258026) is ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC.CC(C)C1CCN(C(=O)C2CCC3(CC2)CCN(C)CC3)CC1.
What is the InChIKey of ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is YVENSMLNFUNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O.C2H6/c1-16(2)17-6-12-22(13-7-17)19(23)18-4-8-20(9-5-18)10-14-21(3)15-11-20;1-2/h16-18H,4-15H2,1-3H3;1-2H3.
What are the key properties of ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 350.59 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 169258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).