1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide

C25H30N6O2 — CID 122604763

IUPAC1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C3CCCNC3)ccc12
InChIInChI=1S/C25H30N6O2/c26-22(32)18-13-29-23(31-10-2-6-25(14-31)7-9-28-24(25)33)20-17-5-4-15(11-19(17)30-21(18)20)16-3-1-8-27-12-16/h4-5,11,13,16,27,30H,1-3,6-10,12,14H2,(H2,26,32)(H,28,33)
InChIKeyXIAHWCLWAPWOGS-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.39
Rot. Bonds3

About 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide

1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122604763) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID122604763
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C3CCCNC3)ccc12
InChIInChI=1S/C25H30N6O2/c26-22(32)18-13-29-23(31-10-2-6-25(14-31)7-9-28-24(25)33)20-17-5-4-15(11-19(17)30-21(18)20)16-3-1-8-27-12-16/h4-5,11,13,16,27,30H,1-3,6-10,12,14H2,(H2,26,32)(H,28,33)
InChIKeyXIAHWCLWAPWOGS-UHFFFAOYSA-N
XLogP2.39
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
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
4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 122608563
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-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134534066
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
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
1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604881
1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-7-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608562
1-[3-formyl-3-[1-hydroxy-2-(methylamino)ethyl]piperidin-1-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 145168143

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 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) is 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C3CCCNC3)ccc12.
What is the InChIKey of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is XIAHWCLWAPWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c26-22(32)18-13-29-23(31-10-2-6-25(14-31)7-9-28-24(25)33)20-17-5-4-15(11-19(17)30-21(18)20)16-3-1-8-27-12-16/h4-5,11,13,16,27,30H,1-3,6-10,12,14H2,(H2,26,32)(H,28,33).
What are the key properties of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122604763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).