N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide

C23H33N3O — CID 56568890

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cn(CC(C)C)c3ccccc23)CC1
InChIInChI=1S/C23H33N3O/c1-17(2)9-12-25-13-10-19(11-14-25)24-23(27)21-16-26(15-18(3)4)22-8-6-5-7-20(21)22/h5-9,16,18-19H,10-15H2,1-4H3,(H,24,27)
InChIKeyIKGJSEIUDIOVJA-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 56568890) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID56568890
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cn(CC(C)C)c3ccccc23)CC1
InChIInChI=1S/C23H33N3O/c1-17(2)9-12-25-13-10-19(11-14-25)24-23(27)21-16-26(15-18(3)4)22-8-6-5-7-20(21)22/h5-9,16,18-19H,10-15H2,1-4H3,(H,24,27)
InChIKeyIKGJSEIUDIOVJA-UHFFFAOYSA-N
XLogP4.46
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
CID 177344342
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
CID 118436697
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 56568880
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide (CID 56568890) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide is CC(C)=CCN1CCC(NC(=O)c2cn(CC(C)C)c3ccccc23)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is IKGJSEIUDIOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(2)9-12-25-13-10-19(11-14-25)24-23(27)21-16-26(15-18(3)4)22-8-6-5-7-20(21)22/h5-9,16,18-19H,10-15H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 56568890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).