N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide

C21H25N3O4 — CID 113078217

IUPACN-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C21H25N3O4/c1-15(25)22-16-6-4-7-17(14-16)23-10-12-24(13-11-23)21(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyAGFYWAPCENYCPV-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.62
Rot. Bonds5

About N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide

N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 113078217) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID113078217
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C21H25N3O4/c1-15(25)22-16-6-4-7-17(14-16)23-10-12-24(13-11-23)21(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyAGFYWAPCENYCPV-UHFFFAOYSA-N
XLogP2.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
(2,6-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3777352

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide (CID 113078217) is N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide is COc1cccc(OC)c1C(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is AGFYWAPCENYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(25)22-16-6-4-7-17(14-16)23-10-12-24(13-11-23)21(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide?
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 113078217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).