(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

C18H20N4O — CID 51107649

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3
InChIKeyWHIOGRCWXLWAHO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.15
Rot. Bonds2

About (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 51107649) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
PubChem CID51107649
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3
InChIKeyWHIOGRCWXLWAHO-UHFFFAOYSA-N
XLogP3.15
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (CID 51107649) is (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is WHIOGRCWXLWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3.
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 308.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 51107649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).