[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C18H16ClN3O3 — CID 38908871

IUPAC[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H16ClN3O3/c19-13-4-3-12-10-15(20-14(12)11-13)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2
InChIKeyZGSPWSAJDCFHEE-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.01
Rot. Bonds2

About [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 38908871) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID38908871
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H16ClN3O3/c19-13-4-3-12-10-15(20-14(12)11-13)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2
InChIKeyZGSPWSAJDCFHEE-UHFFFAOYSA-N
XLogP3.01
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(6-chloro-1H-indol-2-yl)methanone
CID 98775878
[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 30339776
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 38908871) is [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZGSPWSAJDCFHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-13-4-3-12-10-15(20-14(12)11-13)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2.
What are the key properties of [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 357.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 38908871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).