2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

C20H23ClF2N4O2 — CID 110283963

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCc1ccccn1
InChIInChI=1S/C20H22F2N4O2.ClH/c21-15-9-14(10-16(22)11-15)13-26-8-7-24-18(20(26)28)12-19(27)25-6-4-17-3-1-2-5-23-17;/h1-3,5,9-11,18,24H,4,6-8,12-13H2,(H,25,27);1H
InChIKeyMJRQWGRIXHFRGI-UHFFFAOYSA-N
MW424.88 g/mol
LogP1.83
Rot. Bonds7

About 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (PubChem CID 110283963) has the molecular formula C20H23ClF2N4O2 and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
PubChem CID110283963
Molecular FormulaC20H23ClF2N4O2
Molecular Weight424.88 g/mol
Exact Mass424.15
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCc1ccccn1
InChIInChI=1S/C20H22F2N4O2.ClH/c21-15-9-14(10-16(22)11-15)13-26-8-7-24-18(20(26)28)12-19(27)25-6-4-17-3-1-2-5-23-17;/h1-3,5,9-11,18,24H,4,6-8,12-13H2,(H,25,27);1H
InChIKeyMJRQWGRIXHFRGI-UHFFFAOYSA-N
XLogP1.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 51.83
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-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283865
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 110283954
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110283945
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110283976
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
CID 110283271
2-(1-methylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115178439
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (CID 110283963) is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is Cl.O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCc1ccccn1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The InChIKey is MJRQWGRIXHFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2.ClH/c21-15-9-14(10-16(22)11-15)13-26-8-7-24-18(20(26)28)12-19(27)25-6-4-17-3-1-2-5-23-17;/h1-3,5,9-11,18,24H,4,6-8,12-13H2,(H,25,27);1H.
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride has a molecular weight of 424.88 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 110283963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).