1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate

C17H20N2O3 — CID 25234507

IUPAC1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
SMILESCOc1ccc2c(C(=O)OCC34CCN(CC3)C4)c[nH]c2c1
InChIInChI=1S/C17H20N2O3/c1-21-12-2-3-13-14(9-18-15(13)8-12)16(20)22-11-17-4-6-19(10-17)7-5-17/h2-3,8-9,18H,4-7,10-11H2,1H3
InChIKeyKHNZERYFIOUCKX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.43
Rot. Bonds4

About 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate

1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate (PubChem CID 25234507) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
PubChem CID25234507
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
SMILESCOc1ccc2c(C(=O)OCC34CCN(CC3)C4)c[nH]c2c1
InChIInChI=1S/C17H20N2O3/c1-21-12-2-3-13-14(9-18-15(13)8-12)16(20)22-11-17-4-6-19(10-17)7-5-17/h2-3,8-9,18H,4-7,10-11H2,1H3
InChIKeyKHNZERYFIOUCKX-UHFFFAOYSA-N
XLogP2.43
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-hydroxy-5-methoxy-1H-indole-3-carboxylate
CID 129236266
1-azabicyclo[2.2.1]heptan-4-ylmethyl 5-chloro-1H-indole-3-carboxylate
CID 25234436
1-azabicyclo[2.2.1]heptan-4-ylmethyl 5-methoxy-4-methyl-1H-indole-3-carboxylate
CID 129236250
1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate
CID 118644571
1-azabicyclo[2.2.2]octan-4-ylmethyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-8-carboxylate
CID 118644696
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one
CID 138001661
1-azabicyclo[2.2.2]octan-4-ylmethyl 5-(difluoromethoxymethyl)-1H-indole-3-carboxylate
CID 129231040
1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
CID 67030994
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 44595123

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate (CID 25234507) is 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate is COc1ccc2c(C(=O)OCC34CCN(CC3)C4)c[nH]c2c1.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate?
The InChIKey is KHNZERYFIOUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-12-2-3-13-14(9-18-15(13)8-12)16(20)22-11-17-4-6-19(10-17)7-5-17/h2-3,8-9,18H,4-7,10-11H2,1H3.
What are the key properties of 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate?
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate is sourced from PubChem (CID 25234507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).