6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole

C18H19ClN2O — CID 110453427

IUPAC6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole
SMILESClc1ccc2c(C(c3ccco3)N3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H19ClN2O/c19-13-6-7-14-15(12-20-16(14)11-13)18(17-5-4-10-22-17)21-8-2-1-3-9-21/h4-7,10-12,18,20H,1-3,8-9H2
InChIKeyHHKCQXLKQGUADZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.99
Rot. Bonds3

About 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole

6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole (PubChem CID 110453427) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole
PubChem CID110453427
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole
SMILESClc1ccc2c(C(c3ccco3)N3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H19ClN2O/c19-13-6-7-14-15(12-20-16(14)11-13)18(17-5-4-10-22-17)21-8-2-1-3-9-21/h4-7,10-12,18,20H,1-3,8-9H2
InChIKeyHHKCQXLKQGUADZ-UHFFFAOYSA-N
XLogP4.99
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid
CID 29111306
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
1-(6-chloro-1H-indol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821278
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42650356
3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 710739
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 4290710
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole (CID 110453427) is 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole is Clc1ccc2c(C(c3ccco3)N3CCCCC3)c[nH]c2c1.
What is the InChIKey of 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole?
The InChIKey is HHKCQXLKQGUADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-13-6-7-14-15(12-20-16(14)11-13)18(17-5-4-10-22-17)21-8-2-1-3-9-21/h4-7,10-12,18,20H,1-3,8-9H2.
What are the key properties of 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole?
6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole has a molecular weight of 314.82 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[furan-2-yl(piperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 110453427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).