(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide

C20H23Cl2N3O — CID 2690189

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-15(20(26)23-19-13-17(21)7-8-18(19)22)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyAWLFISADWAJMMO-OAHLLOKOSA-N
MW392.33 g/mol
LogP4.14
Rot. Bonds5

About (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 2690189) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
PubChem CID2690189
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-15(20(26)23-19-13-17(21)7-8-18(19)22)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyAWLFISADWAJMMO-OAHLLOKOSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258412
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 97070928
N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78828696
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide (CID 2690189) is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide is C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is AWLFISADWAJMMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-15(20(26)23-19-13-17(21)7-8-18(19)22)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide?
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 392.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2690189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).