(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

C24H32N4O — CID 29085132

IUPAC(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCOc1ccc2[nH]c(CN3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1
InChIInChI=1S/C24H32N4O/c1-18-22-15-21(29-3)9-10-23(22)26-24(18)17-28-13-6-8-20(16-28)27(2)14-11-19-7-4-5-12-25-19/h4-5,7,9-10,12,15,20,26H,6,8,11,13-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyGDXMJYPCIAGSQD-FQEVSTJZSA-N
MW392.55 g/mol
LogP4.02
Rot. Bonds7

About (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (PubChem CID 29085132) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
PubChem CID29085132
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCOc1ccc2[nH]c(CN3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1
InChIInChI=1S/C24H32N4O/c1-18-22-15-21(29-3)9-10-23(22)26-24(18)17-28-13-6-8-20(16-28)27(2)14-11-19-7-4-5-12-25-19/h4-5,7,9-10,12,15,20,26H,6,8,11,13-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyGDXMJYPCIAGSQD-FQEVSTJZSA-N
XLogP4.02
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 45208601
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 155912601
3-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45236475
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 29170646
(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (CID 29085132) is (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is COc1ccc2[nH]c(CN3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1.
What is the InChIKey of (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The InChIKey is GDXMJYPCIAGSQD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-22-15-21(29-3)9-10-23(22)26-24(18)17-28-13-6-8-20(16-28)27(2)14-11-19-7-4-5-12-25-19/h4-5,7,9-10,12,15,20,26H,6,8,11,13-14,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine has a molecular weight of 392.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is sourced from PubChem (CID 29085132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).