1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one

C19H33F2N3O — CID 176558074

IUPAC1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one
SMILESCCCN1CCC(N2CCC3(CCN(C(=O)C(C)C)C3)C2)C(F)(F)C1
InChIInChI=1S/C19H33F2N3O/c1-4-8-22-9-5-16(19(20,21)14-22)23-10-6-18(12-23)7-11-24(13-18)17(25)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyZCQXJUCEVHAUCL-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.69
Rot. Bonds4

About 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one

1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one (PubChem CID 176558074) has the molecular formula C19H33F2N3O and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one
PubChem CID176558074
Molecular FormulaC19H33F2N3O
Molecular Weight357.49 g/mol
Exact Mass357.26
IUPAC Name1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one
SMILESCCCN1CCC(N2CCC3(CCN(C(=O)C(C)C)C3)C2)C(F)(F)C1
InChIInChI=1S/C19H33F2N3O/c1-4-8-22-9-5-16(19(20,21)14-22)23-10-6-18(12-23)7-11-24(13-18)17(25)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyZCQXJUCEVHAUCL-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 126750419
Ethane;2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 145287213
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
Ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 176558837
1-[(3S)-3-[[4-[1,1-difluoro-2-[methyl(2-methylpropyl)amino]ethyl]-4-ethylpiperidin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 176559055
1-[4,4-Difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 176559240
(3-Pyrrolidin-1-ylpyrrolidin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 136522708
2-Methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 145287214
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

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one (CID 176558074) is 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one is CCCN1CCC(N2CCC3(CCN(C(=O)C(C)C)C3)C2)C(F)(F)C1.
What is the InChIKey of 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one?
The InChIKey is ZCQXJUCEVHAUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F2N3O/c1-4-8-22-9-5-16(19(20,21)14-22)23-10-6-18(12-23)7-11-24(13-18)17(25)15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one?
1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one has a molecular weight of 357.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,3-difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176558074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).