[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C20H21N3O3 — CID 110801875

IUPAC[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1C
InChIInChI=1S/C20H21N3O3/c1-14-18(15-6-3-4-7-16(15)21(14)2)20(25)23-11-9-22(10-12-23)19(24)17-8-5-13-26-17/h3-8,13H,9-12H2,1-2H3
InChIKeySMUGUZWGSVIVGK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.68
Rot. Bonds2

About [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110801875) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110801875
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1C
InChIInChI=1S/C20H21N3O3/c1-14-18(15-6-3-4-7-16(15)21(14)2)20(25)23-11-9-22(10-12-23)19(24)17-8-5-13-26-17/h3-8,13H,9-12H2,1-2H3
InChIKeySMUGUZWGSVIVGK-UHFFFAOYSA-N
XLogP2.68
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one
CID 110681004
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylquinolin-2-one
CID 3236948
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 110268334

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 110801875) is [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1C.
What is the InChIKey of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SMUGUZWGSVIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-18(15-6-3-4-7-16(15)21(14)2)20(25)23-11-9-22(10-12-23)19(24)17-8-5-13-26-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110801875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).