methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate

C15H16N2O2 — CID 21469433

IUPACmethyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)11-2-3-14-12(8-11)13(9-17-14)10-4-6-16-7-5-10/h2-4,8-9,16-17H,5-7H2,1H3
InChIKeyVWIOZKKBOBIXKH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.33
Rot. Bonds2

About methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate

methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate (PubChem CID 21469433) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
PubChem CID21469433
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)11-2-3-14-12(8-11)13(9-17-14)10-4-6-16-7-5-10/h2-4,8-9,16-17H,5-7H2,1H3
InChIKeyVWIOZKKBOBIXKH-UHFFFAOYSA-N
XLogP2.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
CID 15646678
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
3-O-tert-butyl 5-O-methyl 1H-indole-3,5-dicarboxylate
CID 141180105
methyl 3-[2-(dimethylamino)-2-oxoacetyl]-1H-indole-5-carboxylate
CID 121230644
N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 102430109
methane;methyl 3-chloro-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 157434836
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
methyl 3-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1H-indole-5-carboxylate
CID 86802684
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
CID 11100285

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate (CID 21469433) is methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate?
The InChIKey is VWIOZKKBOBIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)11-2-3-14-12(8-11)13(9-17-14)10-4-6-16-7-5-10/h2-4,8-9,16-17H,5-7H2,1H3.
What are the key properties of methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate?
methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate is sourced from PubChem (CID 21469433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).