2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

C23H25Cl2N3O3 — CID 46445403

IUPAC2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H25Cl2N3O3/c1-16(29)21(13-17-5-3-2-4-6-17)26-22(30)15-27-9-11-28(12-10-27)23(31)19-8-7-18(24)14-20(19)25/h2-8,14,21H,9-13,15H2,1H3,(H,26,30)
InChIKeyMPWCIDNQUSFJQC-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 46445403) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID46445403
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H25Cl2N3O3/c1-16(29)21(13-17-5-3-2-4-6-17)26-22(30)15-27-9-11-28(12-10-27)23(31)19-8-7-18(24)14-20(19)25/h2-8,14,21H,9-13,15H2,1H3,(H,26,30)
InChIKeyMPWCIDNQUSFJQC-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
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-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130407
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130410
methyl (2R)-2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 9276582
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914
4-chloro-N-[(2R)-1-[(3R)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424401
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46662855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (CID 46445403) is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is MPWCIDNQUSFJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-16(29)21(13-17-5-3-2-4-6-17)26-22(30)15-27-9-11-28(12-10-27)23(31)19-8-7-18(24)14-20(19)25/h2-8,14,21H,9-13,15H2,1H3,(H,26,30).
What are the key properties of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 462.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 46445403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).