1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone

C16H28N2O — CID 141389762

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone
SMILESCN1CCC(C)(CC(=O)N2CCC3(CC2)CC3)CC1
InChIInChI=1S/C16H28N2O/c1-15(5-9-17(2)10-6-15)13-14(19)18-11-7-16(3-4-16)8-12-18/h3-13H2,1-2H3
InChIKeyDLPDEXBVXPNGLC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.51
Rot. Bonds2

About 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone (PubChem CID 141389762) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone
PubChem CID141389762
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone
SMILESCN1CCC(C)(CC(=O)N2CCC3(CC2)CC3)CC1
InChIInChI=1S/C16H28N2O/c1-15(5-9-17(2)10-6-15)13-14(19)18-11-7-16(3-4-16)8-12-18/h3-13H2,1-2H3
InChIKeyDLPDEXBVXPNGLC-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylazetidin-1-yl)-2-(1-methylcyclopropyl)ethanone
CID 131085751
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
CID 175786218
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107019465
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
CID 172604347
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50958689
1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one
CID 170133437

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone (CID 141389762) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone is CN1CCC(C)(CC(=O)N2CCC3(CC2)CC3)CC1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone?
The InChIKey is DLPDEXBVXPNGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(5-9-17(2)10-6-15)13-14(19)18-11-7-16(3-4-16)8-12-18/h3-13H2,1-2H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,4-dimethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 141389762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).