N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide

C22H25N3O5 — CID 55696947

IUPACN-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1
InChIInChI=1S/C22H25N3O5/c1-15(26)16-5-4-6-18(11-16)23-22(28)25-9-7-24(8-10-25)21(27)17-12-19(29-2)14-20(13-17)30-3/h4-6,11-14H,7-10H2,1-3H3,(H,23,28)
InChIKeyNTHUJLNEEYGDPW-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.90
Rot. Bonds5

About N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide

N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide (PubChem CID 55696947) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
PubChem CID55696947
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1
InChIInChI=1S/C22H25N3O5/c1-15(26)16-5-4-6-18(11-16)23-22(28)25-9-7-24(8-10-25)21(27)17-12-19(29-2)14-20(13-17)30-3/h4-6,11-14H,7-10H2,1-3H3,(H,23,28)
InChIKeyNTHUJLNEEYGDPW-UHFFFAOYSA-N
XLogP2.90
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide
CID 167970223
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 35146831

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide (CID 55696947) is N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide is COc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is NTHUJLNEEYGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15(26)16-5-4-6-18(11-16)23-22(28)25-9-7-24(8-10-25)21(27)17-12-19(29-2)14-20(13-17)30-3/h4-6,11-14H,7-10H2,1-3H3,(H,23,28).
What are the key properties of N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide?
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).