(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

C21H29N3O — CID 155873055

IUPAC(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H29N3O/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3
InChIKeyLJUYJDMXSSOQSN-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.51
Rot. Bonds2

About (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (PubChem CID 155873055) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
PubChem CID155873055
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H29N3O/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3
InChIKeyLJUYJDMXSSOQSN-UHFFFAOYSA-N
XLogP3.51
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (CID 155873055) is (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is CN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1.
What is the InChIKey of (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is LJUYJDMXSSOQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3.
What are the key properties of (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 339.48 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155873055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).