N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

C22H27N3O4 — CID 110369690

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-16(26)24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(27)15-17-4-9-20(28-2)21(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyYZNGAVLIPWHKBV-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.55
Rot. Bonds6

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 110369690) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID110369690
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-16(26)24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(27)15-17-4-9-20(28-2)21(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyYZNGAVLIPWHKBV-UHFFFAOYSA-N
XLogP2.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 3750010
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267
2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl]benzoic acid
CID 56761664

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 110369690) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is YZNGAVLIPWHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(26)24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(27)15-17-4-9-20(28-2)21(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 110369690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).