3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one

C15H20ClN3O2 — CID 119306662

IUPAC3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-4-2-1-3-12(13)11-15(21)19-9-7-18(8-10-19)14(20)5-6-17/h1-4H,5-11,17H2
InChIKeyGHXTXCZEFUOONZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one

3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 119306662) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID119306662
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-4-2-1-3-12(13)11-15(21)19-9-7-18(8-10-19)14(20)5-6-17/h1-4H,5-11,17H2
InChIKeyGHXTXCZEFUOONZ-UHFFFAOYSA-N
XLogP0.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120848013
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
2-(2-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9254435
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one (CID 119306662) is 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is GHXTXCZEFUOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-4-2-1-3-12(13)11-15(21)19-9-7-18(8-10-19)14(20)5-6-17/h1-4H,5-11,17H2.
What are the key properties of 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 309.80 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119306662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).