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

C15H21Cl2N3O3 — CID 110283855

IUPAC2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCO
InChIInChI=1S/C15H20ClN3O3.ClH/c16-12-4-2-1-3-11(12)10-19-7-5-17-13(15(19)22)9-14(21)18-6-8-20;/h1-4,13,17,20H,5-10H2,(H,18,21);1H
InChIKeyWYNSKYHQCJWWEK-UHFFFAOYSA-N
MW362.26 g/mol
LogP0.56
Rot. Bonds6

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

2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride (PubChem CID 110283855) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
PubChem CID110283855
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCO
InChIInChI=1S/C15H20ClN3O3.ClH/c16-12-4-2-1-3-11(12)10-19-7-5-17-13(15(19)22)9-14(21)18-6-8-20;/h1-4,13,17,20H,5-10H2,(H,18,21);1H
InChIKeyWYNSKYHQCJWWEK-UHFFFAOYSA-N
XLogP0.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283865
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-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 110283954
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283561
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
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride (CID 110283855) is 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride is Cl.O=C(CC1NCCN(Cc2ccccc2Cl)C1=O)NCCO.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The InChIKey is WYNSKYHQCJWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3.ClH/c16-12-4-2-1-3-11(12)10-19-7-5-17-13(15(19)22)9-14(21)18-6-8-20;/h1-4,13,17,20H,5-10H2,(H,18,21);1H.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride has a molecular weight of 362.26 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 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-hydroxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 110283855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).