(1-methylindol-3-yl)-piperidin-1-ylmethanone

C15H18N2O — CID 3737444

IUPAC(1-methylindol-3-yl)-piperidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-16-11-13(12-7-3-4-8-14(12)16)15(18)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyCAIMODZTAIIUJX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds1

About (1-methylindol-3-yl)-piperidin-1-ylmethanone

(1-methylindol-3-yl)-piperidin-1-ylmethanone (PubChem CID 3737444) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1-methylindol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-piperidin-1-ylmethanone
PubChem CID3737444
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1-methylindol-3-yl)-piperidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-16-11-13(12-7-3-4-8-14(12)16)15(18)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyCAIMODZTAIIUJX-UHFFFAOYSA-N
XLogP2.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-methylindol-3-yl)-piperidin-1-ylmethanone (CID 3737444) is (1-methylindol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-methylindol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-methylindol-3-yl)-piperidin-1-ylmethanone is Cn1cc(C(=O)N2CCCCC2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is CAIMODZTAIIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-11-13(12-7-3-4-8-14(12)16)15(18)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of (1-methylindol-3-yl)-piperidin-1-ylmethanone?
(1-methylindol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 242.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3737444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).