1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole

C20H26N2O — CID 18940861

IUPAC1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole
SMILESCOc1ccc2c(c1)c(CC1=CCCN(C)C1)cn2CC1CC1
InChIInChI=1S/C20H26N2O/c1-21-9-3-4-16(12-21)10-17-14-22(13-15-5-6-15)20-8-7-18(23-2)11-19(17)20/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyMGHTZBZFYZYTIK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.86
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole

1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole (PubChem CID 18940861) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole
PubChem CID18940861
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole
SMILESCOc1ccc2c(c1)c(CC1=CCCN(C)C1)cn2CC1CC1
InChIInChI=1S/C20H26N2O/c1-21-9-3-4-16(12-21)10-17-14-22(13-15-5-6-15)20-8-7-18(23-2)11-19(17)20/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyMGHTZBZFYZYTIK-UHFFFAOYSA-N
XLogP3.86
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole?
The IUPAC name of 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole (CID 18940861) is 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole is COc1ccc2c(c1)c(CC1=CCCN(C)C1)cn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole?
The InChIKey is MGHTZBZFYZYTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-9-3-4-16(12-21)10-17-14-22(13-15-5-6-15)20-8-7-18(23-2)11-19(17)20/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole?
1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole has a molecular weight of 310.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole is sourced from PubChem (CID 18940861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).