(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

C27H28N2O2 — CID 11690129

IUPAC(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-28-16-8-7-9-19(28)17-29-18-24(21-11-5-6-13-25(21)29)27(30)23-14-15-26(31-2)22-12-4-3-10-20(22)23/h3-6,10-15,18-19H,7-9,16-17H2,1-2H3
InChIKeyZMGWYGSWRVIQOM-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.52
Rot. Bonds5

About (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 11690129) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID11690129
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-28-16-8-7-9-19(28)17-29-18-24(21-11-5-6-13-25(21)29)27(30)23-14-15-26(31-2)22-12-4-3-10-20(22)23/h3-6,10-15,18-19H,7-9,16-17H2,1-2H3
InChIKeyZMGWYGSWRVIQOM-UHFFFAOYSA-N
XLogP5.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromonaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11619558
(2-iodophenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
CID 11612272
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 170857355
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 10293794
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 18968769
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
(2-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 11152088

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 11690129) is (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is COc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is ZMGWYGSWRVIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-28-16-8-7-9-19(28)17-29-18-24(21-11-5-6-13-25(21)29)27(30)23-14-15-26(31-2)22-12-4-3-10-20(22)23/h3-6,10-15,18-19H,7-9,16-17H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 412.53 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 11690129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).