1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one

C20H35F2N3O — CID 176558169

IUPAC1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCCN1CCC2(CCN(CC3CCN(C(=O)CC)C3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O/c1-3-9-24-13-8-19(20(21,22)16-24)6-11-23(12-7-19)14-17-5-10-25(15-17)18(26)4-2/h17H,3-16H2,1-2H3
InChIKeyVFKBRYRWQPWMCA-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.08
Rot. Bonds5

About 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one

1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 176558169) has the molecular formula C20H35F2N3O and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID176558169
Molecular FormulaC20H35F2N3O
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCCN1CCC2(CCN(CC3CCN(C(=O)CC)C3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O/c1-3-9-24-13-8-19(20(21,22)16-24)6-11-23(12-7-19)14-17-5-10-25(15-17)18(26)4-2/h17H,3-16H2,1-2H3
InChIKeyVFKBRYRWQPWMCA-UHFFFAOYSA-N
XLogP3.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one
CID 25382997
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
2,2-Dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
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
1-[2-(3,3,3-Trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 126758721
Ethane;2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 145287213
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;methane
CID 161081266
1-[1-(3,3-Difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
CID 168882066

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 176558169) is 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one is CCCN1CCC2(CCN(CC3CCN(C(=O)CC)C3)CC2)C(F)(F)C1.
What is the InChIKey of 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VFKBRYRWQPWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F2N3O/c1-3-9-24-13-8-19(20(21,22)16-24)6-11-23(12-7-19)14-17-5-10-25(15-17)18(26)4-2/h17H,3-16H2,1-2H3.
What are the key properties of 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 371.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 176558169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).