2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

C20H24Cl2N4O2 — CID 110283865

IUPAC2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCc1ccccn1
InChIInChI=1S/C20H23ClN4O2.ClH/c21-17-7-2-1-5-15(17)14-25-12-11-23-18(20(25)27)13-19(26)24-10-8-16-6-3-4-9-22-16;/h1-7,9,18,23H,8,10-14H2,(H,24,26);1H
InChIKeySTQCRYNJZUTYAX-UHFFFAOYSA-N
MW423.34 g/mol
LogP2.21
Rot. Bonds7

About 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (PubChem CID 110283865) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
PubChem CID110283865
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCc1ccccn1
InChIInChI=1S/C20H23ClN4O2.ClH/c21-17-7-2-1-5-15(17)14-25-12-11-23-18(20(25)27)13-19(26)24-10-8-16-6-3-4-9-22-16;/h1-7,9,18,23H,8,10-14H2,(H,24,26);1H
InChIKeySTQCRYNJZUTYAX-UHFFFAOYSA-N
XLogP2.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283963
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 91641162
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(1-methylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115178439
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 110283954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (CID 110283865) is 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is Cl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCc1ccccn1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The InChIKey is STQCRYNJZUTYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2.ClH/c21-17-7-2-1-5-15(17)14-25-12-11-23-18(20(25)27)13-19(26)24-10-8-16-6-3-4-9-22-16;/h1-7,9,18,23H,8,10-14H2,(H,24,26);1H.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride has a molecular weight of 423.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 110283865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).