1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one

C18H33N3O — CID 56715499

IUPAC1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC3(CCN(C)C3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-3-4-17(22)21-10-5-16(6-11-21)20-13-8-18(9-14-20)7-12-19(2)15-18/h16H,3-15H2,1-2H3
InChIKeyHAOLXCKUIRQHCE-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one

1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one (PubChem CID 56715499) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one
PubChem CID56715499
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC3(CCN(C)C3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-3-4-17(22)21-10-5-16(6-11-21)20-13-8-18(9-14-20)7-12-19(2)15-18/h16H,3-15H2,1-2H3
InChIKeyHAOLXCKUIRQHCE-UHFFFAOYSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 97520890
1-(2-Acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one
CID 118738776
2-(1-Acetylpiperidin-4-YL)-1-{2-[2-(pyrrolidin-1-YL)ethyl]piperidin-1-YL}ethan-1-one
CID 53193451
1-[3-[(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one;ethane
CID 176558168
1-[(3R)-3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 176558264
Ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 176558372
1-[9-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylbutan-1-one
CID 176558596
Ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 176558837
1-[3-[(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 176558169
1-[2-(1-Ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 176558373
1-[8-(1-Ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 176558838
1-[4-(3,5-Dimethylpiperidin-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 2910905

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one (CID 56715499) is 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCC3(CCN(C)C3)CC2)CC1.
What is the InChIKey of 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one?
The InChIKey is HAOLXCKUIRQHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-3-4-17(22)21-10-5-16(6-11-21)20-13-8-18(9-14-20)7-12-19(2)15-18/h16H,3-15H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one?
1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one has a molecular weight of 307.48 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56715499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).