2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C27H29N3O4 — CID 4212754

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C27H29N3O4/c1-33-24-13-12-20(18-25(24)34-2)19-26(31)28-23-11-7-6-10-22(23)27(32)30-16-14-29(15-17-30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)
InChIKeyWJSUYCYQFDBMTE-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.85
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 4212754) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID4212754
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C27H29N3O4/c1-33-24-13-12-20(18-25(24)34-2)19-26(31)28-23-11-7-6-10-22(23)27(32)30-16-14-29(15-17-30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)
InChIKeyWJSUYCYQFDBMTE-UHFFFAOYSA-N
XLogP3.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110369690
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
4-(2,4-dichlorophenoxy)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256499
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-1-en-2-yl]amino]benzoic acid
CID 176520584

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 4212754) is 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is WJSUYCYQFDBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-33-24-13-12-20(18-25(24)34-2)19-26(31)28-23-11-7-6-10-22(23)27(32)30-16-14-29(15-17-30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4212754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).