(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

C20H24ClFN3O+ — CID 9445018

IUPAC(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClFN3O/c1-15(20(26)23-14-16-6-8-17(22)9-7-16)24-10-12-25(13-11-24)19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3,(H,23,26)/p+1/t15-/m1/s1
InChIKeyXPHDQHVNRFTTPV-OAHLLOKOSA-O
MW376.88 g/mol
LogP1.89
Rot. Bonds5

About (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 9445018) has the molecular formula C20H24ClFN3O+ and a molecular weight of 376.88 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID9445018
Molecular FormulaC20H24ClFN3O+
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClFN3O/c1-15(20(26)23-14-16-6-8-17(22)9-7-16)24-10-12-25(13-11-24)19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3,(H,23,26)/p+1/t15-/m1/s1
InChIKeyXPHDQHVNRFTTPV-OAHLLOKOSA-O
XLogP1.89
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9444970
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8528325
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249328
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444962
1-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443666
(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431809
(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9028505
(2S)-N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8517053
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8529813
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9276528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 9445018) is (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is XPHDQHVNRFTTPV-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H23ClFN3O/c1-15(20(26)23-14-16-6-8-17(22)9-7-16)24-10-12-25(13-11-24)19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3,(H,23,26)/p+1/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 376.88 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 9445018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).