7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole

C30H37N5 — CID 170936017

IUPAC7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
SMILESCCC1CCN(CC2CCN(c3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)CC2)CC1
InChIInChI=1S/C30H37N5/c1-3-22-9-14-34(15-10-22)21-23-11-16-35(17-12-23)30-7-5-25(19-32-30)24-4-6-26-27-20-31-13-8-28(27)33(2)29(26)18-24/h4-8,13,18-20,22-23H,3,9-12,14-17,21H2,1-2H3
InChIKeyOZZUBWNNFZNZDV-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.13
Rot. Bonds5

About 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole

7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole (PubChem CID 170936017) has the molecular formula C30H37N5 and a molecular weight of 467.66 g/mol. Its IUPAC name is 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
PubChem CID170936017
Molecular FormulaC30H37N5
Molecular Weight467.66 g/mol
Exact Mass467.30
IUPAC Name7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
SMILESCCC1CCN(CC2CCN(c3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)CC2)CC1
InChIInChI=1S/C30H37N5/c1-3-22-9-14-34(15-10-22)21-23-11-16-35(17-12-23)30-7-5-25(19-32-30)24-4-6-26-27-20-31-13-8-28(27)33(2)29(26)18-24/h4-8,13,18-20,22-23H,3,9-12,14-17,21H2,1-2H3
InChIKeyOZZUBWNNFZNZDV-UHFFFAOYSA-N
XLogP6.13
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The IUPAC name of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole (CID 170936017) is 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole.
What is the SMILES notation for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The canonical SMILES for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole is CCC1CCN(CC2CCN(c3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)CC2)CC1.
What is the InChIKey of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The InChIKey is OZZUBWNNFZNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5/c1-3-22-9-14-34(15-10-22)21-23-11-16-35(17-12-23)30-7-5-25(19-32-30)24-4-6-26-27-20-31-13-8-28(27)33(2)29(26)18-24/h4-8,13,18-20,22-23H,3,9-12,14-17,21H2,1-2H3.
What are the key properties of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole has a molecular weight of 467.66 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 170936017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).