9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide

C22H28N4O — CID 56652049

IUPAC9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21
InChIInChI=1S/C22H28N4O/c1-2-3-7-14-26-20-11-6-5-10-17(20)18-15-19(23-16-21(18)26)22(27)24-25-12-8-4-9-13-25/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3,(H,24,27)
InChIKeyRKDXIXHAGWSDHU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.51
Rot. Bonds6

About 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide

9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide (PubChem CID 56652049) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide
PubChem CID56652049
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21
InChIInChI=1S/C22H28N4O/c1-2-3-7-14-26-20-11-6-5-10-17(20)18-15-19(23-16-21(18)26)22(27)24-25-12-8-4-9-13-25/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3,(H,24,27)
InChIKeyRKDXIXHAGWSDHU-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

FG-7142
CID 4375
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
2,2,2-trifluoroacetate; 4-[({1-[(4-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9827724
3-Amidinobenzylindole carboxamide 2
CID 9828698
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9914912
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9958024
(2S)-2-amino-3-(1H-indol-3-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 10172738
1-(9H-beta-Carbolin-3-yl)ethan-1-one
CID 12789146
Indole-based 6-membered lactam, 2
CID 15604675
indole-based 6-membered lactam, (R)-4a
CID 15604844
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641

Frequently Asked Questions

What is the IUPAC name of 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide (CID 56652049) is 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide is CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21.
What is the InChIKey of 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide?
The InChIKey is RKDXIXHAGWSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-3-7-14-26-20-11-6-5-10-17(20)18-15-19(23-16-21(18)26)22(27)24-25-12-8-4-9-13-25/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3,(H,24,27).
What are the key properties of 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide?
9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentyl-N-piperidin-1-ylpyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 56652049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).