1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone

C16H24ClN3O — CID 120848013

IUPAC1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESCC(C)(N)CN1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(2,18)12-19-7-9-20(10-8-19)15(21)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3
InChIKeyLGQDKCFQUATMOQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.76
Rot. Bonds4

About 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone

1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 120848013) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
PubChem CID120848013
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESCC(C)(N)CN1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(2,18)12-19-7-9-20(10-8-19)15(21)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3
InChIKeyLGQDKCFQUATMOQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 60693018
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-(2-chlorophenyl)ethanone
CID 63394834
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
tert-butyl N-[2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916056
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 97038805
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 55364420
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone (CID 120848013) is 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone is CC(C)(N)CN1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is LGQDKCFQUATMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-16(2,18)12-19-7-9-20(10-8-19)15(21)11-13-5-3-4-6-14(13)17/h3-6H,7-12,18H2,1-2H3.
What are the key properties of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 309.84 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 120848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).