1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone

C30H40N2O3 — CID 143502489

IUPAC1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(C[C@H](C)CCCC3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C30H40N2O3/c1-23(21-32-22-28(24(2)33)27-13-8-14-29(34-3)30(27)32)9-7-10-25-15-17-31(18-16-25)19-20-35-26-11-5-4-6-12-26/h4-6,8,11-14,22-23,25H,7,9-10,15-21H2,1-3H3/t23-/m1/s1
InChIKeyLJTRPWKKTMHUNQ-HSZRJFAPSA-N
MW476.66 g/mol
LogP6.45
Rot. Bonds12

About 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone

1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone (PubChem CID 143502489) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone
PubChem CID143502489
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC Name1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(C[C@H](C)CCCC3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C30H40N2O3/c1-23(21-32-22-28(24(2)33)27-13-8-14-29(34-3)30(27)32)9-7-10-25-15-17-31(18-16-25)19-20-35-26-11-5-4-6-12-26/h4-6,8,11-14,22-23,25H,7,9-10,15-21H2,1-3H3/t23-/m1/s1
InChIKeyLJTRPWKKTMHUNQ-HSZRJFAPSA-N
XLogP6.45
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone 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

[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
1-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone
CID 58968070
1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967813
7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 58968285
1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone
CID 160895395
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;2-(2-methoxyphenyl)-1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 162167070
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
CID 117098685
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone (CID 143502489) is 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone is COc1cccc2c(C(C)=O)cn(C[C@H](C)CCCC3CCN(CCOc4ccccc4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone?
The InChIKey is LJTRPWKKTMHUNQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-23(21-32-22-28(24(2)33)27-13-8-14-29(34-3)30(27)32)9-7-10-25-15-17-31(18-16-25)19-20-35-26-11-5-4-6-12-26/h4-6,8,11-14,22-23,25H,7,9-10,15-21H2,1-3H3/t23-/m1/s1.
What are the key properties of 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone?
1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone has a molecular weight of 476.66 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone is sourced from PubChem (CID 143502489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).