2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C23H30N4O — CID 134329821

IUPAC2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc(OC)c4)c(C)c3c2)CC1
InChIInChI=1S/C23H30N4O/c1-16-20-14-18(17-7-11-27(12-8-17)13-10-24-2)4-5-21(20)26-23(16)19-6-9-25-22(15-19)28-3/h4-6,9,14-15,17,24,26H,7-8,10-13H2,1-3H3
InChIKeyXQGPWLSDGMPBJU-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.95
Rot. Bonds6

About 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 134329821) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID134329821
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc(OC)c4)c(C)c3c2)CC1
InChIInChI=1S/C23H30N4O/c1-16-20-14-18(17-7-11-27(12-8-17)13-10-24-2)4-5-21(20)26-23(16)19-6-9-25-22(15-19)28-3/h4-6,9,14-15,17,24,26H,7-8,10-13H2,1-3H3
InChIKeyXQGPWLSDGMPBJU-UHFFFAOYSA-N
XLogP3.95
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine with MolForge

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Related Compounds

Harmine
CID 5280953
5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
Lanepitant
CID 3086681
Harmine Hydrochloride
CID 5359389
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
Abt-107
CID 11151363
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 134329821) is 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccnc(OC)c4)c(C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is XQGPWLSDGMPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-20-14-18(17-7-11-27(12-8-17)13-10-24-2)4-5-21(20)26-23(16)19-6-9-25-22(15-19)28-3/h4-6,9,14-15,17,24,26H,7-8,10-13H2,1-3H3.
What are the key properties of 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 378.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxy-4-pyridinyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134329821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).