N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine

C22H28N4 — CID 134329690

IUPACN-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccncc4)c(C)c3c2)CC1
InChIInChI=1S/C22H28N4/c1-16-20-15-19(17-7-12-26(13-8-17)14-11-23-2)3-4-21(20)25-22(16)18-5-9-24-10-6-18/h3-6,9-10,15,17,23,25H,7-8,11-14H2,1-2H3
InChIKeyZBGVVAPPHFFRLH-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.94
Rot. Bonds5

About N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine

N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine (PubChem CID 134329690) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine
PubChem CID134329690
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccncc4)c(C)c3c2)CC1
InChIInChI=1S/C22H28N4/c1-16-20-15-19(17-7-12-26(13-8-17)14-11-23-2)3-4-21(20)25-22(16)18-5-9-24-10-6-18/h3-6,9-10,15,17,23,25H,7-8,11-14H2,1-2H3
InChIKeyZBGVVAPPHFFRLH-UHFFFAOYSA-N
XLogP3.94
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine (CID 134329690) is N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccncc4)c(C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine?
The InChIKey is ZBGVVAPPHFFRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-16-20-15-19(17-7-12-26(13-8-17)14-11-23-2)3-4-21(20)25-22(16)18-5-9-24-10-6-18/h3-6,9-10,15,17,23,25H,7-8,11-14H2,1-2H3.
What are the key properties of N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine?
N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine has a molecular weight of 348.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 134329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).