6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole

C18H20N4 — CID 127244845

IUPAC6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
SMILESc1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2
InChIKeyPOMRNMLUINEGAE-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.69
Rot. Bonds3

About 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole

6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 127244845) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
PubChem CID127244845
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
SMILESc1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2
InChIKeyPOMRNMLUINEGAE-UHFFFAOYSA-N
XLogP3.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole (CID 127244845) is 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole is c1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1.
What is the InChIKey of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is POMRNMLUINEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2.
What are the key properties of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 292.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 127244845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).