furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

C21H23N3O3 — CID 131940830

IUPACfuran-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]c12
InChIInChI=1S/C21H23N3O3/c1-13-6-7-14(2)18-17(13)15(3)19(22-18)21(26)24-10-8-23(9-11-24)20(25)16-5-4-12-27-16/h4-7,12,22H,8-11H2,1-3H3
InChIKeyCATWOIFCIVVQTP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.28
Rot. Bonds2

About furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 131940830) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID131940830
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namefuran-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]c12
InChIInChI=1S/C21H23N3O3/c1-13-6-7-14(2)18-17(13)15(3)19(22-18)21(26)24-10-8-23(9-11-24)20(25)16-5-4-12-27-16/h4-7,12,22H,8-11H2,1-3H3
InChIKeyCATWOIFCIVVQTP-UHFFFAOYSA-N
XLogP3.28
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 133123045
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 10497907

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 131940830) is furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is Cc1ccc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]c12.
What is the InChIKey of furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CATWOIFCIVVQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-7-14(2)18-17(13)15(3)19(22-18)21(26)24-10-8-23(9-11-24)20(25)16-5-4-12-27-16/h4-7,12,22H,8-11H2,1-3H3.
What are the key properties of furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 131940830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).