1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C18H31F2N3O — CID 176558373

IUPAC1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2
InChIInChI=1S/C18H31F2N3O/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20/h15H,3-14H2,1-2H3
InChIKeyUNRVYHKFCJSWHH-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 176558373) has the molecular formula C18H31F2N3O and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID176558373
Molecular FormulaC18H31F2N3O
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Name1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2
InChIInChI=1S/C18H31F2N3O/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20/h15H,3-14H2,1-2H3
InChIKeyUNRVYHKFCJSWHH-UHFFFAOYSA-N
XLogP2.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-Ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
2,2,2-Trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 91583203
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
(1-Methylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118534927
2,2-Dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
1-[4-(4,4-Difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750240
2,2-Dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750357
2,2-Dimethyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 126750419
2,2-Dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750473
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 176558373) is 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is CCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2.
What is the InChIKey of 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is UNRVYHKFCJSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2N3O/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20/h15H,3-14H2,1-2H3.
What are the key properties of 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 343.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 176558373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).