2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

C18H28ClN3O4 — CID 119300870

IUPAC2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-4-5-15(19)18(23)21-10-8-20(9-11-21)17(22)14-7-6-13(24-2)12-16(14)25-3;/h6-7,12,15H,4-5,8-11,19H2,1-3H3;1H
InChIKeyHUEGDZVUBHBGJK-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119300870) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID119300870
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-4-5-15(19)18(23)21-10-8-20(9-11-21)17(22)14-7-6-13(24-2)12-16(14)25-3;/h6-7,12,15H,4-5,8-11,19H2,1-3H3;1H
InChIKeyHUEGDZVUBHBGJK-UHFFFAOYSA-N
XLogP1.54
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316419
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 119300870) is 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is HUEGDZVUBHBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-4-5-15(19)18(23)21-10-8-20(9-11-21)17(22)14-7-6-13(24-2)12-16(14)25-3;/h6-7,12,15H,4-5,8-11,19H2,1-3H3;1H.
What are the key properties of 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119300870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).