3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

C21H29ClN6O2 — CID 120871378

IUPAC3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H28N6O2.ClH/c1-25-13-10-23-21(25)18-15-22-9-14-26(18)12-8-19(28)24-16-4-6-17(7-5-16)27-11-2-3-20(27)29;/h4-7,10,13,18,22H,2-3,8-9,11-12,14-15H2,1H3,(H,24,28);1H
InChIKeyNKXALTWZNFRGTM-UHFFFAOYSA-N
MW432.96 g/mol
LogP1.94
Rot. Bonds6

About 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (PubChem CID 120871378) has the molecular formula C21H29ClN6O2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
PubChem CID120871378
Molecular FormulaC21H29ClN6O2
Molecular Weight432.96 g/mol
Exact Mass432.20
IUPAC Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H28N6O2.ClH/c1-25-13-10-23-21(25)18-15-22-9-14-26(18)12-8-19(28)24-16-4-6-17(7-5-16)27-11-2-3-20(27)29;/h4-7,10,13,18,22H,2-3,8-9,11-12,14-15H2,1H3,(H,24,28);1H
InChIKeyNKXALTWZNFRGTM-UHFFFAOYSA-N
XLogP1.94
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120871180
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 120869854
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120870506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (CID 120871378) is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The InChIKey is NKXALTWZNFRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2.ClH/c1-25-13-10-23-21(25)18-15-22-9-14-26(18)12-8-19(28)24-16-4-6-17(7-5-16)27-11-2-3-20(27)29;/h4-7,10,13,18,22H,2-3,8-9,11-12,14-15H2,1H3,(H,24,28);1H.
What are the key properties of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120871378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).