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

C22H27N3O4 — CID 18140436

IUPACN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-9-8-18(14-20(19)29-2)22(27)25-12-10-24(11-13-25)16-21(26)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyPYHIRGWWLZGPQO-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.78
Rot. Bonds7

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

N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 18140436) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID18140436
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-9-8-18(14-20(19)29-2)22(27)25-12-10-24(11-13-25)16-21(26)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyPYHIRGWWLZGPQO-UHFFFAOYSA-N
XLogP1.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
methyl 3-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]benzoate
CID 3853869
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099
N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 30838266
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
N-(2-ethylphenyl)-2-[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27851838
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 33079907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide (CID 18140436) is N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide is COc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is PYHIRGWWLZGPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-9-8-18(14-20(19)29-2)22(27)25-12-10-24(11-13-25)16-21(26)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18140436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).