(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide

C22H26FN3O2 — CID 36877338

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H26FN3O2/c1-15-4-5-16(2)20(14-15)24-21(27)17(3)25-10-12-26(13-11-25)22(28)18-6-8-19(23)9-7-18/h4-9,14,17H,10-13H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyCJQNKMHSEWMGRL-QGZVFWFLSA-N
MW383.47 g/mol
LogP3.23
Rot. Bonds4

About (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide

(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide (PubChem CID 36877338) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
PubChem CID36877338
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H26FN3O2/c1-15-4-5-16(2)20(14-15)24-21(27)17(3)25-10-12-26(13-11-25)22(28)18-6-8-19(23)9-7-18/h4-9,14,17H,10-13H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyCJQNKMHSEWMGRL-QGZVFWFLSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-N-ethylpiperazine-1-carboxamide
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CID 60524022
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
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N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55865034
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896173
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide (CID 36877338) is (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is CJQNKMHSEWMGRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-4-5-16(2)20(14-15)24-21(27)17(3)25-10-12-26(13-11-25)22(28)18-6-8-19(23)9-7-18/h4-9,14,17H,10-13H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide?
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 36877338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).