[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone

C17H31N3O2 — CID 134070329

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C17H31N3O2/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h15H,3-14H2,1-2H3
InChIKeyWSYKNDLKTKCCCN-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.18
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone (PubChem CID 134070329) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
PubChem CID134070329
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C17H31N3O2/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h15H,3-14H2,1-2H3
InChIKeyWSYKNDLKTKCCCN-UHFFFAOYSA-N
XLogP1.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone
CID 131686362
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855870
[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155868249
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005644
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone (CID 134070329) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone is CN(C)CCN1CCCC12CCN(C(=O)C1CCCO1)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone?
The InChIKey is WSYKNDLKTKCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h15H,3-14H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone has a molecular weight of 309.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 134070329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).