(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone

C26H32N2O2 — CID 15015511

IUPAC(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
SMILESCCCN1CCCC(Cn2c(C)c(C(=O)c3ccc(OC)cc3)c3ccccc32)C1
InChIInChI=1S/C26H32N2O2/c1-4-15-27-16-7-8-20(17-27)18-28-19(2)25(23-9-5-6-10-24(23)28)26(29)21-11-13-22(30-3)14-12-21/h5-6,9-14,20H,4,7-8,15-18H2,1-3H3
InChIKeyVOXULTOYIGBUDW-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.31
Rot. Bonds7

About (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone

(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone (PubChem CID 15015511) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
PubChem CID15015511
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
SMILESCCCN1CCCC(Cn2c(C)c(C(=O)c3ccc(OC)cc3)c3ccccc32)C1
InChIInChI=1S/C26H32N2O2/c1-4-15-27-16-7-8-20(17-27)18-28-19(2)25(23-9-5-6-10-24(23)28)26(29)21-11-13-22(30-3)14-12-21/h5-6,9-14,20H,4,7-8,15-18H2,1-3H3
InChIKeyVOXULTOYIGBUDW-UHFFFAOYSA-N
XLogP5.31
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968777
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
CID 15015514
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
(4-methoxyphenyl)-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]methanone
CID 3771354
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid
CID 46241414
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-2-yl]methanesulfonic acid;hydrate
CID 139640512

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone (CID 15015511) is (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone is CCCN1CCCC(Cn2c(C)c(C(=O)c3ccc(OC)cc3)c3ccccc32)C1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone?
The InChIKey is VOXULTOYIGBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-4-15-27-16-7-8-20(17-27)18-28-19(2)25(23-9-5-6-10-24(23)28)26(29)21-11-13-22(30-3)14-12-21/h5-6,9-14,20H,4,7-8,15-18H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone?
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone has a molecular weight of 404.55 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 15015511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).