(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C22H27N3O3 — CID 9249385

IUPAC(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)CC1
InChIInChI=1S/C22H27N3O3/c1-16(22(27)23-19-9-5-4-8-18(19)17(2)26)24-12-14-25(15-13-24)20-10-6-7-11-21(20)28-3/h4-11,16H,12-15H2,1-3H3,(H,23,27)/t16-/m0/s1
InChIKeyNADDJCWMQRXSQC-INIZCTEOSA-N
MW381.48 g/mol
LogP3.05
Rot. Bonds6

About (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9249385) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9249385
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)CC1
InChIInChI=1S/C22H27N3O3/c1-16(22(27)23-19-9-5-4-8-18(19)17(2)26)24-12-14-25(15-13-24)20-10-6-7-11-21(20)28-3/h4-11,16H,12-15H2,1-3H3,(H,23,27)/t16-/m0/s1
InChIKeyNADDJCWMQRXSQC-INIZCTEOSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N-(4-bromo-2-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46631128
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249253

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 9249385) is (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)CC1.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is NADDJCWMQRXSQC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(22(27)23-19-9-5-4-8-18(19)17(2)26)24-12-14-25(15-13-24)20-10-6-7-11-21(20)28-3/h4-11,16H,12-15H2,1-3H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9249385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).