3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide

C22H32F2N4O2 — CID 50779637

IUPAC3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(CCN(CCCN1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C22H32F2N4O2/c23-19-6-5-18(17-20(19)24)22(30)28(13-4-12-26-10-2-1-3-11-26)14-7-21(29)27-15-8-25-9-16-27/h5-6,17,25H,1-4,7-16H2
InChIKeyZXOJQJKYWCVGHD-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.10
Rot. Bonds8

About 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide

3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 50779637) has the molecular formula C22H32F2N4O2 and a molecular weight of 422.52 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID50779637
Molecular FormulaC22H32F2N4O2
Molecular Weight422.52 g/mol
Exact Mass422.25
IUPAC Name3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(CCN(CCCN1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C22H32F2N4O2/c23-19-6-5-18(17-20(19)24)22(30)28(13-4-12-26-10-2-1-3-11-26)14-7-21(29)27-15-8-25-9-16-27/h5-6,17,25H,1-4,7-16H2
InChIKeyZXOJQJKYWCVGHD-UHFFFAOYSA-N
XLogP2.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057537
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057558
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057538
3,4-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92501839
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057582
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 50820945
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146065491
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
1-(1,4-diazepan-1-yl)-4-(3,4-difluorophenyl)butane-1,4-dione;hydrochloride
CID 119415843

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 50779637) is 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide is O=C(CCN(CCCN1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1.
What is the InChIKey of 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is ZXOJQJKYWCVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2N4O2/c23-19-6-5-18(17-20(19)24)22(30)28(13-4-12-26-10-2-1-3-11-26)14-7-21(29)27-15-8-25-9-16-27/h5-6,17,25H,1-4,7-16H2.
What are the key properties of 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide?
3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 422.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).