3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide

C20H30N4O5 — CID 18226344

IUPAC3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C20H30N4O5/c1-14(2)22-18(25)13-23-5-7-24(8-6-23)19(26)12-21-20(27)15-9-16(28-3)11-17(10-15)29-4/h9-11,14H,5-8,12-13H2,1-4H3,(H,21,27)(H,22,25)
InChIKeyFWJKKMCZOGZGNZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP0.10
Rot. Bonds8

About 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 18226344) has the molecular formula C20H30N4O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide
PubChem CID18226344
Molecular FormulaC20H30N4O5
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC Name3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C20H30N4O5/c1-14(2)22-18(25)13-23-5-7-24(8-6-23)19(26)12-21-20(27)15-9-16(28-3)11-17(10-15)29-4/h9-11,14H,5-8,12-13H2,1-4H3,(H,21,27)(H,22,25)
InChIKeyFWJKKMCZOGZGNZ-UHFFFAOYSA-N
XLogP0.10
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
2-[4-[N'-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethylcarbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 111981930
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 78803732
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide (CID 18226344) is 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is FWJKKMCZOGZGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5/c1-14(2)22-18(25)13-23-5-7-24(8-6-23)19(26)12-21-20(27)15-9-16(28-3)11-17(10-15)29-4/h9-11,14H,5-8,12-13H2,1-4H3,(H,21,27)(H,22,25).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide?
3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 18226344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).