2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

C16H23Cl2N3O3 — CID 120987590

IUPAC2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-11-14(18)16(22)20-8-6-19(7-9-20)15(21)10-12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3;1H
InChIKeyQIMJCOCRQLPBGW-UHFFFAOYSA-N
MW376.28 g/mol
LogP0.95
Rot. Bonds5

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

2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (PubChem CID 120987590) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
PubChem CID120987590
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-11-14(18)16(22)20-8-6-19(7-9-20)15(21)10-12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3;1H
InChIKeyQIMJCOCRQLPBGW-UHFFFAOYSA-N
XLogP0.95
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120848013
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
tert-butyl N-[2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916056
2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 66997528
2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983562
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (CID 120987590) is 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is COCC(N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The InChIKey is QIMJCOCRQLPBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-23-11-14(18)16(22)20-8-6-19(7-9-20)15(21)10-12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3;1H.
What are the key properties of 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120987590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).