2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride

C17H26ClN3O5 — CID 70091931

IUPAC2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)C(O)CCO)CC1.Cl
InChIInChI=1S/C17H25N3O5.ClH/c1-25-15-5-3-2-4-13(15)19-7-9-20(10-8-19)16(23)12-18-17(24)14(22)6-11-21;/h2-5,14,21-22H,6-12H2,1H3,(H,18,24);1H
InChIKeyXJRBZJQUZQLUIC-UHFFFAOYSA-N
MW387.86 g/mol
LogP-0.37
Rot. Bonds7

About 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride

2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride (PubChem CID 70091931) has the molecular formula C17H26ClN3O5 and a molecular weight of 387.86 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
PubChem CID70091931
Molecular FormulaC17H26ClN3O5
Molecular Weight387.86 g/mol
Exact Mass387.16
IUPAC Name2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)C(O)CCO)CC1.Cl
InChIInChI=1S/C17H25N3O5.ClH/c1-25-15-5-3-2-4-13(15)19-7-9-20(10-8-19)16(23)12-18-17(24)14(22)6-11-21;/h2-5,14,21-22H,6-12H2,1H3,(H,18,24);1H
InChIKeyXJRBZJQUZQLUIC-UHFFFAOYSA-N
XLogP-0.37
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride (CID 70091931) is 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride is COc1ccccc1N1CCN(C(=O)CNC(=O)C(O)CCO)CC1.Cl.
What is the InChIKey of 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is XJRBZJQUZQLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5.ClH/c1-25-15-5-3-2-4-13(15)19-7-9-20(10-8-19)16(23)12-18-17(24)14(22)6-11-21;/h2-5,14,21-22H,6-12H2,1H3,(H,18,24);1H.
What are the key properties of 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 387.86 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 70091931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).