2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one

C16H21Cl2N3O2 — CID 119281994

IUPAC2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O2/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18/h4-5,10,14H,2-3,6-9,19H2,1H3
InChIKeyYIMPUKDYEAGYNW-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one

2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one (PubChem CID 119281994) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
PubChem CID119281994
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O2/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18/h4-5,10,14H,2-3,6-9,19H2,1H3
InChIKeyYIMPUKDYEAGYNW-UHFFFAOYSA-N
XLogP2.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316419
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119300870
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 119838955
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one (CID 119281994) is 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is YIMPUKDYEAGYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18/h4-5,10,14H,2-3,6-9,19H2,1H3.
What are the key properties of 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 358.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 119281994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).