N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide

C19H25N3O — CID 97266405

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C19H25N3O/c1-13(2)22-11-16(15-5-3-4-6-18(15)22)19(23)20-17-12-21-9-7-14(17)8-10-21/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyKUULWKPQAXGQAA-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.05
Rot. Bonds3

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide (PubChem CID 97266405) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
PubChem CID97266405
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C19H25N3O/c1-13(2)22-11-16(15-5-3-4-6-18(15)22)19(23)20-17-12-21-9-7-14(17)8-10-21/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyKUULWKPQAXGQAA-QGZVFWFLSA-N
XLogP3.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-N-propan-2-ylindazole-1,3-dicarboxamide
CID 173194641
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46223745
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride
CID 70074579

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide (CID 97266405) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide?
The InChIKey is KUULWKPQAXGQAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)22-11-16(15-5-3-4-6-18(15)22)19(23)20-17-12-21-9-7-14(17)8-10-21/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 97266405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).