(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate

C23H26N2O2 — CID 19891962

IUPAC(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
SMILESCN1CCCCC1COC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-24-14-8-7-11-19(24)17-27-23(26)21-16-25(15-18-9-3-2-4-10-18)22-13-6-5-12-20(21)22/h2-6,9-10,12-13,16,19H,7-8,11,14-15,17H2,1H3
InChIKeyGHLCTZCUULXLJC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.33
Rot. Bonds5

About (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate

(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate (PubChem CID 19891962) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
PubChem CID19891962
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
SMILESCN1CCCCC1COC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-24-14-8-7-11-19(24)17-27-23(26)21-16-25(15-18-9-3-2-4-10-18)22-13-6-5-12-20(21)22/h2-6,9-10,12-13,16,19H,7-8,11,14-15,17H2,1H3
InChIKeyGHLCTZCUULXLJC-UHFFFAOYSA-N
XLogP4.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635
(2-iodophenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
CID 11612272
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
(4-bromonaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11619558
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11690129
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 10293794
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate (CID 19891962) is (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate is CN1CCCCC1COC(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate?
The InChIKey is GHLCTZCUULXLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24-14-8-7-11-19(24)17-27-23(26)21-16-25(15-18-9-3-2-4-10-18)22-13-6-5-12-20(21)22/h2-6,9-10,12-13,16,19H,7-8,11,14-15,17H2,1H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate?
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate is sourced from PubChem (CID 19891962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).