[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone

C20H23N3O2 — CID 67639351

IUPAC[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1ccc2c(c1)c(C1CCN(C)CC1)cn2N
InChIInChI=1S/C20H23N3O2/c1-13-16(7-10-25-13)20(24)15-3-4-19-17(11-15)18(12-23(19)21)14-5-8-22(2)9-6-14/h3-4,7,10-12,14H,5-6,8-9,21H2,1-2H3
InChIKeyUHKAOXNPPBWOEP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.30
Rot. Bonds3

About [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 67639351) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
PubChem CID67639351
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1ccc2c(c1)c(C1CCN(C)CC1)cn2N
InChIInChI=1S/C20H23N3O2/c1-13-16(7-10-25-13)20(24)15-3-4-19-17(11-15)18(12-23(19)21)14-5-8-22(2)9-6-14/h3-4,7,10-12,14H,5-6,8-9,21H2,1-2H3
InChIKeyUHKAOXNPPBWOEP-UHFFFAOYSA-N
XLogP3.30
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone (CID 67639351) is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1ccc2c(c1)c(C1CCN(C)CC1)cn2N.
What is the InChIKey of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is UHKAOXNPPBWOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-16(7-10-25-13)20(24)15-3-4-19-17(11-15)18(12-23(19)21)14-5-8-22(2)9-6-14/h3-4,7,10-12,14H,5-6,8-9,21H2,1-2H3.
What are the key properties of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone?
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 67639351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).