[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone

C17H21F2N3O2 — CID 119307957

IUPAC[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21F2N3O2/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12/h1-3,12,20H,4-11H2
InChIKeyPENJYBVBKGFKSB-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.25
Rot. Bonds2

About [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 119307957) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID119307957
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21F2N3O2/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12/h1-3,12,20H,4-11H2
InChIKeyPENJYBVBKGFKSB-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119756701
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 119307957) is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone is O=C(c1c(F)cccc1F)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is PENJYBVBKGFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12/h1-3,12,20H,4-11H2.
What are the key properties of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 337.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119307957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).