(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone

C14H25F2N3O — CID 166828303

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3O/c1-3-12(2)17-7-9-18(10-8-17)13(20)19-6-4-5-14(15,16)11-19/h12H,3-11H2,1-2H3
InChIKeySVOMOFGAGDCTIB-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.25
Rot. Bonds2

About (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone (PubChem CID 166828303) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
PubChem CID166828303
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3O/c1-3-12(2)17-7-9-18(10-8-17)13(20)19-6-4-5-14(15,16)11-19/h12H,3-11H2,1-2H3
InChIKeySVOMOFGAGDCTIB-UHFFFAOYSA-N
XLogP2.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(2,2-difluoropiperidin-1-yl)methanone
CID 68882898
Bis(2-fluoropiperidin-1-yl)methanone
CID 68883073
Bis[2-(trifluoromethyl)piperidin-1-yl]methanone
CID 87726117
(4,4-Difluoropiperidin-1-yl)-piperazin-1-ylmethanone
CID 116991124
(4,4-Difluoropiperidin-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 117710739
(4,4-Difluoropiperidin-1-yl)(4-methylpiperazin-1-yl)methanone
CID 121184662
(4,4-Difluoropiperidin-1-yl)-piperidin-1-ylmethanone
CID 123780835
4,4-difluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199504
3,3-difluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199508
(3-Fluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200314
(3,3-Difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200315
(4-Fluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200322

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone (CID 166828303) is (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone is CCC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone?
The InChIKey is SVOMOFGAGDCTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-3-12(2)17-7-9-18(10-8-17)13(20)19-6-4-5-14(15,16)11-19/h12H,3-11H2,1-2H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 166828303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).