[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

C22H28ClN3O4 — CID 120734626

IUPAC[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-20-5-3-2-4-18(20)19-14-23-9-12-25(19)22(27)16-6-10-24(11-7-16)21(26)17-8-13-29-15-17;/h2-5,8,13,15-16,19,23H,6-7,9-12,14H2,1H3;1H
InChIKeyCGFKOBRICPPSTI-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.74
Rot. Bonds4

About [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120734626) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120734626
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-20-5-3-2-4-18(20)19-14-23-9-12-25(19)22(27)16-6-10-24(11-7-16)21(26)17-8-13-29-15-17;/h2-5,8,13,15-16,19,23H,6-7,9-12,14H2,1H3;1H
InChIKeyCGFKOBRICPPSTI-UHFFFAOYSA-N
XLogP2.74
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735066
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120732946
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120753922

Frequently Asked Questions

What is the IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120734626) is [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1.Cl.
What is the InChIKey of [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is CGFKOBRICPPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-28-20-5-3-2-4-18(20)19-14-23-9-12-25(19)22(27)16-6-10-24(11-7-16)21(26)17-8-13-29-15-17;/h2-5,8,13,15-16,19,23H,6-7,9-12,14H2,1H3;1H.
What are the key properties of [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120734626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).