N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C23H33N3O — CID 55811546

IUPACN-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C23H33N3O/c1-17-9-4-6-15-26(17)16-7-5-14-24-23(27)20-12-8-11-19-18-10-2-3-13-21(18)25-22(19)20/h8,11-12,17,25H,2-7,9-10,13-16H2,1H3,(H,24,27)
InChIKeyAJCCUOUBWLBTIQ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 55811546) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID55811546
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C23H33N3O/c1-17-9-4-6-15-26(17)16-7-5-14-24-23(27)20-12-8-11-19-18-10-2-3-13-21(18)25-22(19)20/h8,11-12,17,25H,2-7,9-10,13-16H2,1H3,(H,24,27)
InChIKeyAJCCUOUBWLBTIQ-UHFFFAOYSA-N
XLogP4.43
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 39688262
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 55811546) is N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCCCN1CCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is AJCCUOUBWLBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-9-4-6-15-26(17)16-7-5-14-24-23(27)20-12-8-11-19-18-10-2-3-13-21(18)25-22(19)20/h8,11-12,17,25H,2-7,9-10,13-16H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 55811546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).