furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone

C20H25N3O3 — CID 46328246

IUPACfuran-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(n3cccc3)CCCCC2)CC1
InChIInChI=1S/C20H25N3O3/c24-18(17-7-6-16-26-17)21-12-14-22(15-13-21)19(25)20(8-2-1-3-9-20)23-10-4-5-11-23/h4-7,10-11,16H,1-3,8-9,12-15H2
InChIKeyXPIGCQFOOWOKGR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.73
Rot. Bonds3

About furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone (PubChem CID 46328246) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
PubChem CID46328246
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namefuran-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(n3cccc3)CCCCC2)CC1
InChIInChI=1S/C20H25N3O3/c24-18(17-7-6-16-26-17)21-12-14-22(15-13-21)19(25)20(8-2-1-3-9-20)23-10-4-5-11-23/h4-7,10-11,16H,1-3,8-9,12-15H2
InChIKeyXPIGCQFOOWOKGR-UHFFFAOYSA-N
XLogP2.73
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 30944839
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone (CID 46328246) is furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2(n3cccc3)CCCCC2)CC1.
What is the InChIKey of furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is XPIGCQFOOWOKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-18(17-7-6-16-26-17)21-12-14-22(15-13-21)19(25)20(8-2-1-3-9-20)23-10-4-5-11-23/h4-7,10-11,16H,1-3,8-9,12-15H2.
What are the key properties of furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46328246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).