4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C17H28ClN3O2 — CID 119444966

IUPAC4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-22-16-7-5-15(6-8-16)3-2-4-17(21)19-11-14-20-12-9-18-10-13-20;/h5-8,18H,2-4,9-14H2,1H3,(H,19,21);1H
InChIKeyBGIOEOQIDSOXBK-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.46
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119444966) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119444966
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-22-16-7-5-15(6-8-16)3-2-4-17(21)19-11-14-20-12-9-18-10-13-20;/h5-8,18H,2-4,9-14H2,1H3,(H,19,21);1H
InChIKeyBGIOEOQIDSOXBK-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447099
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108907667
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
(Z)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethylamino)prop-2-enamide
CID 108838883

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119444966) is 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is COc1ccc(CCCC(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is BGIOEOQIDSOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-22-16-7-5-15(6-8-16)3-2-4-17(21)19-11-14-20-12-9-18-10-13-20;/h5-8,18H,2-4,9-14H2,1H3,(H,19,21);1H.
What are the key properties of 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119444966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).