N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H29N3O — CID 35377516

IUPACN-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H29N3O/c25-21(22-11-6-14-24-12-4-1-5-13-24)16-9-10-20-18(15-16)17-7-2-3-8-19(17)23-20/h9-10,15,23H,1-8,11-14H2,(H,22,25)
InChIKeyCPUNKNCCTVJPLU-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.65
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 35377516) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID35377516
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H29N3O/c25-21(22-11-6-14-24-12-4-1-5-13-24)16-9-10-20-18(15-16)17-7-2-3-8-19(17)23-20/h9-10,15,23H,1-8,11-14H2,(H,22,25)
InChIKeyCPUNKNCCTVJPLU-UHFFFAOYSA-N
XLogP3.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.65
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

ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
CID 156841297
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71929435
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 35377516) is N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is CPUNKNCCTVJPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21(22-11-6-14-24-12-4-1-5-13-24)16-9-10-20-18(15-16)17-7-2-3-8-19(17)23-20/h9-10,15,23H,1-8,11-14H2,(H,22,25).
What are the key properties of N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 35377516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).