[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate

C22H34N4O5 — CID 173142118

IUPAC[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate
SMILESCCN1CCN(CCCC(=O)c2ccc(OC(=O)N(C)C)c(OC(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H34N4O5/c1-6-25-12-14-26(15-13-25)11-7-8-18(27)17-9-10-19(30-21(28)23(2)3)20(16-17)31-22(29)24(4)5/h9-10,16H,6-8,11-15H2,1-5H3
InChIKeyATXLDTQBJVIRSY-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.41
Rot. Bonds8

About [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate

[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate (PubChem CID 173142118) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate
PubChem CID173142118
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC Name[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate
SMILESCCN1CCN(CCCC(=O)c2ccc(OC(=O)N(C)C)c(OC(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H34N4O5/c1-6-25-12-14-26(15-13-25)11-7-8-18(27)17-9-10-19(30-21(28)23(2)3)20(16-17)31-22(29)24(4)5/h9-10,16H,6-8,11-15H2,1-5H3
InChIKeyATXLDTQBJVIRSY-UHFFFAOYSA-N
XLogP2.41
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate with MolForge

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Related Compounds

1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(4-ethylpiperazin-1-yl)butan-1-one
CID 57403265
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 93192549
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
4-(4-amino-3-chloropiperidin-1-yl)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 173330854
6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one
CID 15590123
1'-[4-(3,4-dimethoxyphenyl)-4-oxobutyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70592114

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate (CID 173142118) is [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate is CCN1CCN(CCCC(=O)c2ccc(OC(=O)N(C)C)c(OC(=O)N(C)C)c2)CC1.
What is the InChIKey of [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is ATXLDTQBJVIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5/c1-6-25-12-14-26(15-13-25)11-7-8-18(27)17-9-10-19(30-21(28)23(2)3)20(16-17)31-22(29)24(4)5/h9-10,16H,6-8,11-15H2,1-5H3.
What are the key properties of [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate?
[2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 434.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyloxy)-4-[4-(4-ethylpiperazin-1-yl)butanoyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 173142118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).