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

C22H28N4O3 — CID 9249441

IUPAC(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-17(21(27)24-22(28)23-16-18-8-4-3-5-9-18)25-12-14-26(15-13-25)19-10-6-7-11-20(19)29-2/h3-11,17H,12-16H2,1-2H3,(H2,23,24,27,28)/t17-/m0/s1
InChIKeyICSNGVMXMQBFJC-KRWDZBQOSA-N
MW396.49 g/mol
LogP2.23
Rot. Bonds6

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

(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9249441) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9249441
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-17(21(27)24-22(28)23-16-18-8-4-3-5-9-18)25-12-14-26(15-13-25)19-10-6-7-11-20(19)29-2/h3-11,17H,12-16H2,1-2H3,(H2,23,24,27,28)/t17-/m0/s1
InChIKeyICSNGVMXMQBFJC-KRWDZBQOSA-N
XLogP2.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 92984622
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430394

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 9249441) is (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is ICSNGVMXMQBFJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(21(27)24-22(28)23-16-18-8-4-3-5-9-18)25-12-14-26(15-13-25)19-10-6-7-11-20(19)29-2/h3-11,17H,12-16H2,1-2H3,(H2,23,24,27,28)/t17-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9249441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).