(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide

C21H23Cl2N3O2 — CID 2570336

IUPAC(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14(21(28)24-19-12-17(22)11-18(23)13-19)25-7-9-26(10-8-25)20-5-3-16(4-6-20)15(2)27/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)/t14-/m1/s1
InChIKeyODKVTWPRBBWBFI-CQSZACIVSA-N
MW420.34 g/mol
LogP4.35
Rot. Bonds5

About (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide

(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 2570336) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
PubChem CID2570336
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14(21(28)24-19-12-17(22)11-18(23)13-19)25-7-9-26(10-8-25)20-5-3-16(4-6-20)15(2)27/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)/t14-/m1/s1
InChIKeyODKVTWPRBBWBFI-CQSZACIVSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2S)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774492
(2R)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide (CID 2570336) is (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide is CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is ODKVTWPRBBWBFI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14(21(28)24-19-12-17(22)11-18(23)13-19)25-7-9-26(10-8-25)20-5-3-16(4-6-20)15(2)27/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide?
(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 420.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2570336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).