N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride

C21H26ClN3O2 — CID 70074579

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CN2CCC1CC2)C(=O)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C21H25N3O2.ClH/c25-20(21(26)22-18-13-23-9-7-15(18)8-10-23)17-12-24(11-14-5-6-14)19-4-2-1-3-16(17)19;/h1-4,12,14-15,18H,5-11,13H2,(H,22,26);1H/t18-;/m1./s1
InChIKeySCZDRVVDJPGEAQ-GMUIIQOCSA-N
MW387.91 g/mol
LogP2.87
Rot. Bonds5

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride (PubChem CID 70074579) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride
PubChem CID70074579
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CN2CCC1CC2)C(=O)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C21H25N3O2.ClH/c25-20(21(26)22-18-13-23-9-7-15(18)8-10-23)17-12-24(11-14-5-6-14)19-4-2-1-3-16(17)19;/h1-4,12,14-15,18H,5-11,13H2,(H,22,26);1H/t18-;/m1./s1
InChIKeySCZDRVVDJPGEAQ-GMUIIQOCSA-N
XLogP2.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(5-bromo-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073342
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-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073352
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate
CID 110167914
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide;hydrochloride
CID 70075185
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-3-phenylprop-2-enamide
CID 67845595

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride (CID 70074579) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride is Cl.O=C(N[C@@H]1CN2CCC1CC2)C(=O)c1cn(CC2CC2)c2ccccc12.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride?
The InChIKey is SCZDRVVDJPGEAQ-GMUIIQOCSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c25-20(21(26)22-18-13-23-9-7-15(18)8-10-23)17-12-24(11-14-5-6-14)19-4-2-1-3-16(17)19;/h1-4,12,14-15,18H,5-11,13H2,(H,22,26);1H/t18-;/m1./s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride is sourced from PubChem (CID 70074579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).