8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

C20H29N3O — CID 51030571

IUPAC8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCC2CCNCC2)CC(C)NC1
InChIInChI=1S/C20H29N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-4,12,14-15,21-22H,5-11,13H2,1-2H3
InChIKeyMMKLRVFNSQISGW-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.07
Rot. Bonds4

About 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 51030571) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID51030571
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCC2CCNCC2)CC(C)NC1
InChIInChI=1S/C20H29N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-4,12,14-15,21-22H,5-11,13H2,1-2H3
InChIKeyMMKLRVFNSQISGW-UHFFFAOYSA-N
XLogP3.07
TPSA38.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-methyl-5-(2-piperidin-3-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 51030570
8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 142758890
S-[4-[(6-methoxy-3-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)methyl]phenyl]thiohydroxylamine
CID 170621320
S-[4-[(8-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)methyl]phenyl]thiohydroxylamine
CID 170621355
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 66485037
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 84631436
1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole
CID 11174156
1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 142200893
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 51030571) is 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is COc1ccc2c(c1)c1c(n2CCC2CCNCC2)CC(C)NC1.
What is the InChIKey of 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is MMKLRVFNSQISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-4,12,14-15,21-22H,5-11,13H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 327.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 51030571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).