cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone

C15H16F2N2O2 — CID 62648905

IUPACcyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H16F2N2O2/c16-12-3-1-2-11(13(12)17)15(21)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2
InChIKeyCMBSQPJXHGIOTC-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.66
Rot. Bonds2

About cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 62648905) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
PubChem CID62648905
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Namecyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H16F2N2O2/c16-12-3-1-2-11(13(12)17)15(21)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2
InChIKeyCMBSQPJXHGIOTC-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
cyclopentyl-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797846
1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62662160
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 142266464
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone (CID 62648905) is cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1F)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is CMBSQPJXHGIOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-12-3-1-2-11(13(12)17)15(21)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 294.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).