furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone

C18H17N3O3 — CID 33018299

IUPACfuran-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17N3O3/c22-17(14-5-10-24-12-14)20-6-8-21(9-7-20)18(23)16-11-13-3-1-2-4-15(13)19-16/h1-5,10-12,19H,6-9H2
InChIKeyRKVFCCIUZLOOAA-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.36
Rot. Bonds2

About furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone

furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 33018299) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID33018299
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namefuran-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17N3O3/c22-17(14-5-10-24-12-14)20-6-8-21(9-7-20)18(23)16-11-13-3-1-2-4-15(13)19-16/h1-5,10-12,19H,6-9H2
InChIKeyRKVFCCIUZLOOAA-UHFFFAOYSA-N
XLogP2.36
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-2-yl)ethane-1,2-dione
CID 10269957
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 33018299) is furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RKVFCCIUZLOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17(14-5-10-24-12-14)20-6-8-21(9-7-20)18(23)16-11-13-3-1-2-4-15(13)19-16/h1-5,10-12,19H,6-9H2.
What are the key properties of furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 323.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 33018299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).