N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C20H24ClN3O2 — CID 46054199

IUPACN-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)
InChIKeyRSISSIDBMTWIDR-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.50
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 46054199) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID46054199
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)
InChIKeyRSISSIDBMTWIDR-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 46054199) is N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is RSISSIDBMTWIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46054199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).