3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane

C24H33N3 — CID 158590362

IUPAC3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
SMILESC.C.c1ccc2c(c1)CN(CN1CCC(c3c[nH]c4ccccc34)CC1)C2
InChIInChI=1S/C22H25N3.2CH4/c1-2-6-19-15-25(14-18(19)5-1)16-24-11-9-17(10-12-24)21-13-23-22-8-4-3-7-20(21)22;;/h1-8,13,17,23H,9-12,14-16H2;2*1H4
InChIKeyHUJGUGLIIZLECW-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.59
Rot. Bonds3

About 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane

3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane (PubChem CID 158590362) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane.

Molecular Properties

Compound Name3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
PubChem CID158590362
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
SMILESC.C.c1ccc2c(c1)CN(CN1CCC(c3c[nH]c4ccccc34)CC1)C2
InChIInChI=1S/C22H25N3.2CH4/c1-2-6-19-15-25(14-18(19)5-1)16-24-11-9-17(10-12-24)21-13-23-22-8-4-3-7-20(21)22;;/h1-8,13,17,23H,9-12,14-16H2;2*1H4
InChIKeyHUJGUGLIIZLECW-UHFFFAOYSA-N
XLogP5.59
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
CID 59108468
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
CID 136580194
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane?
The IUPAC name of 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane (CID 158590362) is 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane.
What is the SMILES notation for 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane?
The canonical SMILES for 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane is C.C.c1ccc2c(c1)CN(CN1CCC(c3c[nH]c4ccccc34)CC1)C2.
What is the InChIKey of 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane?
The InChIKey is HUJGUGLIIZLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3.2CH4/c1-2-6-19-15-25(14-18(19)5-1)16-24-11-9-17(10-12-24)21-13-23-22-8-4-3-7-20(21)22;;/h1-8,13,17,23H,9-12,14-16H2;2*1H4.
What are the key properties of 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane?
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane has a molecular weight of 363.55 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane is sourced from PubChem (CID 158590362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).