N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide

C16H19N3O — CID 61230821

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(14-9-17-15-4-2-1-3-13(14)15)19-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2,(H,19,20)
InChIKeyIDTJUVMKRMLZKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.18
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide (PubChem CID 61230821) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
PubChem CID61230821
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(14-9-17-15-4-2-1-3-13(14)15)19-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2,(H,19,20)
InChIKeyIDTJUVMKRMLZKI-UHFFFAOYSA-N
XLogP2.18
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide (CID 61230821) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide is O=C(NC1CC2CCC(C1)N2)c1c[nH]c2ccccc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is IDTJUVMKRMLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-9-17-15-4-2-1-3-13(14)15)19-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61230821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).