2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C24H31N3O3 — CID 9130410

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N[C@@H](Cc3ccccc3)C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-19(28)23(16-20-6-4-3-5-7-20)25-24(29)18-27-14-12-26(13-15-27)17-21-8-10-22(30-2)11-9-21/h3-11,23H,12-18H2,1-2H3,(H,25,29)/t23-/m0/s1
InChIKeyHIAVHVWRKGOBDQ-QHCPKHFHSA-N
MW409.53 g/mol
LogP2.13
Rot. Bonds9

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 9130410) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID9130410
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N[C@@H](Cc3ccccc3)C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-19(28)23(16-20-6-4-3-5-7-20)25-24(29)18-27-14-12-26(13-15-27)17-21-8-10-22(30-2)11-9-21/h3-11,23H,12-18H2,1-2H3,(H,25,29)/t23-/m0/s1
InChIKeyHIAVHVWRKGOBDQ-QHCPKHFHSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130407
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46662855
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
methyl (2R)-2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 9276582
2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 98430569
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130409
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 9130410) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is COc1ccc(CN2CCN(CC(=O)N[C@@H](Cc3ccccc3)C(C)=O)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is HIAVHVWRKGOBDQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19(28)23(16-20-6-4-3-5-7-20)25-24(29)18-27-14-12-26(13-15-27)17-21-8-10-22(30-2)11-9-21/h3-11,23H,12-18H2,1-2H3,(H,25,29)/t23-/m0/s1.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9130410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).