8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

C26H31N5O2 — CID 146583110

IUPAC8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESCN1CCC(c2ccc3[nH]c4c(C=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1
InChIInChI=1S/C26H31N5O2/c1-30-11-5-17(6-12-30)18-3-4-21-20(13-18)22-23(29-21)19(15-32)14-28-24(22)31-10-2-7-26(16-31)8-9-27-25(26)33/h3-4,13-15,17,29H,2,5-12,16H2,1H3,(H,27,33)
InChIKeyLERPBLIGKNBJRL-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.44
Rot. Bonds3

About 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (PubChem CID 146583110) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.

Molecular Properties

Compound Name8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
PubChem CID146583110
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESCN1CCC(c2ccc3[nH]c4c(C=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1
InChIInChI=1S/C26H31N5O2/c1-30-11-5-17(6-12-30)18-3-4-21-20(13-18)22-23(29-21)19(15-32)14-28-24(22)31-10-2-7-26(16-31)8-9-27-25(26)33/h3-4,13-15,17,29H,2,5-12,16H2,1H3,(H,27,33)
InChIKeyLERPBLIGKNBJRL-UHFFFAOYSA-N
XLogP3.44
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde with MolForge

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Related Compounds

1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608574
8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608581
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608572
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604763
acetaldehyde;1-[3-formyl-3-[2-(methylamino)ethyl]piperidin-1-yl]-7-(1-methylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde;methanamine
CID 145168146
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
CID 134520748
1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 145166461
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146582980
3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide
CID 145166476
8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608568
8-fluoro-1-[(6S)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134520750

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The IUPAC name of 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (CID 146583110) is 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.
What is the SMILES notation for 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The canonical SMILES for 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is CN1CCC(c2ccc3[nH]c4c(C=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1.
What is the InChIKey of 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The InChIKey is LERPBLIGKNBJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-30-11-5-17(6-12-30)18-3-4-21-20(13-18)22-23(29-21)19(15-32)14-28-24(22)31-10-2-7-26(16-31)8-9-27-25(26)33/h3-4,13-15,17,29H,2,5-12,16H2,1H3,(H,27,33).
What are the key properties of 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde has a molecular weight of 445.57 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is sourced from PubChem (CID 146583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).