2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

C15H21N3O4 — CID 120988456

IUPAC2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H21N3O4/c1-22-10-13(16)15(21)18-7-5-17(6-8-18)14(20)11-3-2-4-12(19)9-11/h2-4,9,13,19H,5-8,10,16H2,1H3
InChIKeyWAHWJHZFLNNCSD-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.35
Rot. Bonds4

About 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 120988456) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID120988456
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H21N3O4/c1-22-10-13(16)15(21)18-7-5-17(6-8-18)14(20)11-3-2-4-12(19)9-11/h2-4,9,13,19H,5-8,10,16H2,1H3
InChIKeyWAHWJHZFLNNCSD-UHFFFAOYSA-N
XLogP-0.35
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 120986261
2-amino-3-methoxy-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120986280
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668170
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
2-(4-chlorophenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108535959
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 120988656

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 120988456) is 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is WAHWJHZFLNNCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-10-13(16)15(21)18-7-5-17(6-8-18)14(20)11-3-2-4-12(19)9-11/h2-4,9,13,19H,5-8,10,16H2,1H3.
What are the key properties of 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 307.35 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120988456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).