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

C23H33N3O — CID 55814693

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCN(CCCCNC(=O)c2cccc3c4c([nH]c23)CCCC4)CC1
InChIInChI=1S/C23H33N3O/c1-17-11-15-26(16-12-17)14-5-4-13-24-23(27)20-9-6-8-19-18-7-2-3-10-21(18)25-22(19)20/h6,8-9,17,25H,2-5,7,10-16H2,1H3,(H,24,27)
InChIKeyVASCYKFAWIUFKR-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.29
Rot. Bonds6

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

N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 55814693) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID55814693
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCN(CCCCNC(=O)c2cccc3c4c([nH]c23)CCCC4)CC1
InChIInChI=1S/C23H33N3O/c1-17-11-15-26(16-12-17)14-5-4-13-24-23(27)20-9-6-8-19-18-7-2-3-10-21(18)25-22(19)20/h6,8-9,17,25H,2-5,7,10-16H2,1H3,(H,24,27)
InChIKeyVASCYKFAWIUFKR-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
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-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
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
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 133267951
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 55814693) is N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCN(CCCCNC(=O)c2cccc3c4c([nH]c23)CCCC4)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is VASCYKFAWIUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-11-15-26(16-12-17)14-5-4-13-24-23(27)20-9-6-8-19-18-7-2-3-10-21(18)25-22(19)20/h6,8-9,17,25H,2-5,7,10-16H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 55814693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).