N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

C20H28F2N4O2 — CID 42926177

IUPACN-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28F2N4O2/c1-15(20(28)23-16-5-6-17(21)18(22)13-16)25-11-9-24(10-12-25)14-19(27)26-7-3-2-4-8-26/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,23,28)
InChIKeyXVOAZWUYSBGBGF-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.92
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 42926177) has the molecular formula C20H28F2N4O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID42926177
Molecular FormulaC20H28F2N4O2
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28F2N4O2/c1-15(20(28)23-16-5-6-17(21)18(22)13-16)25-11-9-24(10-12-25)14-19(27)26-7-3-2-4-8-26/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,23,28)
InChIKeyXVOAZWUYSBGBGF-UHFFFAOYSA-N
XLogP1.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410
(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 47068776
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30721120
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (CID 42926177) is N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is XVOAZWUYSBGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O2/c1-15(20(28)23-16-5-6-17(21)18(22)13-16)25-11-9-24(10-12-25)14-19(27)26-7-3-2-4-8-26/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,23,28).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 394.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42926177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).