N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide

C22H25N3O5 — CID 108533941

IUPACN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O5/c1-29-17-9-6-10-18(30-2)20(17)22(28)25-13-11-24(12-14-25)19(26)15-23-21(27)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyNGWJPDKGEUMKKL-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.42
Rot. Bonds6

About N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108533941) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID108533941
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O5/c1-29-17-9-6-10-18(30-2)20(17)22(28)25-13-11-24(12-14-25)19(26)15-23-21(27)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyNGWJPDKGEUMKKL-UHFFFAOYSA-N
XLogP1.42
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 108533941) is N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1cccc(OC)c1C(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NGWJPDKGEUMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-29-17-9-6-10-18(30-2)20(17)22(28)25-13-11-24(12-14-25)19(26)15-23-21(27)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108533941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).