(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

C16H23N3O4 — CID 119300869

IUPAC(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N)CC2)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-11(17)15(20)18-6-8-19(9-7-18)16(21)13-5-4-12(22-2)10-14(13)23-3/h4-5,10-11H,6-9,17H2,1-3H3/t11-/m1/s1
InChIKeyHEILJTNRJMCSSU-LLVKDONJSA-N
MW321.38 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 119300869) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID119300869
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N)CC2)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-11(17)15(20)18-6-8-19(9-7-18)16(21)13-5-4-12(22-2)10-14(13)23-3/h4-5,10-11H,6-9,17H2,1-3H3/t11-/m1/s1
InChIKeyHEILJTNRJMCSSU-LLVKDONJSA-N
XLogP0.34
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119300870
(2S)-2-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119342570
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (CID 119300869) is (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N)CC2)c(OC)c1.
What is the InChIKey of (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is HEILJTNRJMCSSU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11(17)15(20)18-6-8-19(9-7-18)16(21)13-5-4-12(22-2)10-14(13)23-3/h4-5,10-11H,6-9,17H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 321.38 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119300869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).