1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

C14H20ClN3O3 — CID 119730637

IUPAC1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-15-10-13(19)16-6-8-17(9-7-16)14(20)11-2-4-12(18)5-3-11;/h2-5,15,18H,6-10H2,1H3;1H
InChIKeyRSAPWPQYRBGJPI-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.32
Rot. Bonds3

About 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 119730637) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID119730637
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-15-10-13(19)16-6-8-17(9-7-16)14(20)11-2-4-12(18)5-3-11;/h2-5,15,18H,6-10H2,1H3;1H
InChIKeyRSAPWPQYRBGJPI-UHFFFAOYSA-N
XLogP0.32
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
CID 167875364
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
2-(4-aminophenyl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 119730626
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
CID 87010279
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 119730637) is 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is RSAPWPQYRBGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-15-10-13(19)16-6-8-17(9-7-16)14(20)11-2-4-12(18)5-3-11;/h2-5,15,18H,6-10H2,1H3;1H.
What are the key properties of 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 119730637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).