2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride

C20H27ClN6O2 — CID 120871180

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C20H26N6O2.ClH/c1-24-11-9-22-20(24)17-13-21-8-12-25(17)14-18(27)23-15-5-2-3-6-16(15)26-10-4-7-19(26)28;/h2-3,5-6,9,11,17,21H,4,7-8,10,12-14H2,1H3,(H,23,27);1H
InChIKeyVRBZAPGKTLQXBV-UHFFFAOYSA-N
MW418.93 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 120871180) has the molecular formula C20H27ClN6O2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
PubChem CID120871180
Molecular FormulaC20H27ClN6O2
Molecular Weight418.93 g/mol
Exact Mass418.19
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C20H26N6O2.ClH/c1-24-11-9-22-20(24)17-13-21-8-12-25(17)14-18(27)23-15-5-2-3-6-16(15)26-10-4-7-19(26)28;/h2-3,5-6,9,11,17,21H,4,7-8,10,12-14H2,1H3,(H,23,27);1H
InChIKeyVRBZAPGKTLQXBV-UHFFFAOYSA-N
XLogP1.55
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 120870399
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120871378
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871328
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 120757093
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride (CID 120871180) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is VRBZAPGKTLQXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2.ClH/c1-24-11-9-22-20(24)17-13-21-8-12-25(17)14-18(27)23-15-5-2-3-6-16(15)26-10-4-7-19(26)28;/h2-3,5-6,9,11,17,21H,4,7-8,10,12-14H2,1H3,(H,23,27);1H.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 418.93 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120871180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).