7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole

C21H27N3O2 — CID 167423136

IUPAC7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole
SMILESCOCCOCCN1CCC(c2ccc3c(c2)[nH]c2ccncc23)CC1
InChIInChI=1S/C21H27N3O2/c1-25-12-13-26-11-10-24-8-5-16(6-9-24)17-2-3-18-19-15-22-7-4-20(19)23-21(18)14-17/h2-4,7,14-16,23H,5-6,8-13H2,1H3
InChIKeyRKQSWAXBIOAIJO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.56
Rot. Bonds7

About 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole

7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole (PubChem CID 167423136) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole
PubChem CID167423136
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole
SMILESCOCCOCCN1CCC(c2ccc3c(c2)[nH]c2ccncc23)CC1
InChIInChI=1S/C21H27N3O2/c1-25-12-13-26-11-10-24-8-5-16(6-9-24)17-2-3-18-19-15-22-7-4-20(19)23-21(18)14-17/h2-4,7,14-16,23H,5-6,8-13H2,1H3
InChIKeyRKQSWAXBIOAIJO-UHFFFAOYSA-N
XLogP3.56
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole 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

2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137357364
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 134329857
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone
CID 169159368
2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione
CID 134481722
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
CID 44565093
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
CID 21198085
2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581
8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
CID 116985884

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole (CID 167423136) is 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole is COCCOCCN1CCC(c2ccc3c(c2)[nH]c2ccncc23)CC1.
What is the InChIKey of 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole?
The InChIKey is RKQSWAXBIOAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-25-12-13-26-11-10-24-8-5-16(6-9-24)17-2-3-18-19-15-22-7-4-20(19)23-21(18)14-17/h2-4,7,14-16,23H,5-6,8-13H2,1H3.
What are the key properties of 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole?
7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole has a molecular weight of 353.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 167423136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).