[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone

C25H30N2O2 — CID 42667282

IUPAC[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1cccc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1ccccc1C
InChIInChI=1S/C25H30N2O2/c1-4-29-24-11-7-10-22-21(24)16-23(25(28)26-14-12-18(2)13-15-26)27(22)17-20-9-6-5-8-19(20)3/h5-11,16,18H,4,12-15,17H2,1-3H3
InChIKeyUFBDPFBYAOXWGW-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.27
Rot. Bonds5

About [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone

[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 42667282) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID42667282
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1cccc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1ccccc1C
InChIInChI=1S/C25H30N2O2/c1-4-29-24-11-7-10-22-21(24)16-23(25(28)26-14-12-18(2)13-15-26)27(22)17-20-9-6-5-8-19(20)3/h5-11,16,18H,4,12-15,17H2,1-3H3
InChIKeyUFBDPFBYAOXWGW-UHFFFAOYSA-N
XLogP5.27
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958573
ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate
CID 71958234
[1-[(2,5-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42667233
[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 93077137
(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42666991
[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42667458
4-ethoxy-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 42803250
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777735

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 42667282) is [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone is CCOc1cccc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1ccccc1C.
What is the InChIKey of [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UFBDPFBYAOXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-29-24-11-7-10-22-21(24)16-23(25(28)26-14-12-18(2)13-15-26)27(22)17-20-9-6-5-8-19(20)3/h5-11,16,18H,4,12-15,17H2,1-3H3.
What are the key properties of [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone?
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).