N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride

C20H26ClN5O3 — CID 120877603

IUPACN-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C20H25N5O3.ClH/c1-24-9-8-22-18(24)16-13-21-7-10-25(16)20(27)14-4-2-5-15(12-14)23-19(26)17-6-3-11-28-17;/h2,4-5,8-9,12,16-17,21H,3,6-7,10-11,13H2,1H3,(H,23,26);1H
InChIKeyJKOGZHKPRYBONW-UHFFFAOYSA-N
MW419.91 g/mol
LogP1.75
Rot. Bonds4

About N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120877603) has the molecular formula C20H26ClN5O3 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120877603
Molecular FormulaC20H26ClN5O3
Molecular Weight419.91 g/mol
Exact Mass419.17
IUPAC NameN-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C20H25N5O3.ClH/c1-24-9-8-22-18(24)16-13-21-7-10-25(16)20(27)14-4-2-5-15(12-14)23-19(26)17-6-3-11-28-17;/h2,4-5,8-9,12,16-17,21H,3,6-7,10-11,13H2,1H3,(H,23,26);1H
InChIKeyJKOGZHKPRYBONW-UHFFFAOYSA-N
XLogP1.75
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879589
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879590
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120879889
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(1,3-thiazol-4-yl)phenyl]methanone
CID 120877682
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 120880679

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 120877603) is N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is JKOGZHKPRYBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3.ClH/c1-24-9-8-22-18(24)16-13-21-7-10-25(16)20(27)14-4-2-5-15(12-14)23-19(26)17-6-3-11-28-17;/h2,4-5,8-9,12,16-17,21H,3,6-7,10-11,13H2,1H3,(H,23,26);1H.
What are the key properties of N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120877603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).