2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C20H23N3O3 — CID 120668170

IUPAC2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-5-7-15(8-6-14)18(21)20(26)23-11-9-22(10-12-23)19(25)16-3-2-4-17(24)13-16/h2-8,13,18,24H,9-12,21H2,1H3
InChIKeyYCXCBXWQRLNQQB-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120668170) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID120668170
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-5-7-15(8-6-14)18(21)20(26)23-11-9-22(10-12-23)19(25)16-3-2-4-17(24)13-16/h2-8,13,18,24H,9-12,21H2,1H3
InChIKeyYCXCBXWQRLNQQB-UHFFFAOYSA-N
XLogP1.69
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526
2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667079
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988456
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 120668170) is 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is YCXCBXWQRLNQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-7-15(8-6-14)18(21)20(26)23-11-9-22(10-12-23)19(25)16-3-2-4-17(24)13-16/h2-8,13,18,24H,9-12,21H2,1H3.
What are the key properties of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 353.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120668170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).