1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C24H32N4O2 — CID 56526464

IUPAC1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1
InChIInChI=1S/C24H32N4O2/c1-17(2)18(3)26-24(30)19-9-13-27(14-10-19)16-23(29)21-15-28(12-6-11-25)22-8-5-4-7-20(21)22/h4-5,7-8,15,17-19H,6,9-10,12-14,16H2,1-3H3,(H,26,30)
InChIKeyGGMCUPICVMTLSK-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.61
Rot. Bonds8

About 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 56526464) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID56526464
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1
InChIInChI=1S/C24H32N4O2/c1-17(2)18(3)26-24(30)19-9-13-27(14-10-19)16-23(29)21-15-28(12-6-11-25)22-8-5-4-7-20(21)22/h4-5,7-8,15,17-19H,6,9-10,12-14,16H2,1-3H3,(H,26,30)
InChIKeyGGMCUPICVMTLSK-UHFFFAOYSA-N
XLogP3.61
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

tert-butyl N-[1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]piperidin-4-yl]carbamate
CID 56524848
3-[3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 55566277
3-[3-[2-[4-(2-methoxyacetyl)piperazin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 55841909
3-[3-[2-[butyl(methyl)amino]acetyl]indol-1-yl]propanenitrile
CID 86909797
3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 56526987
methyl 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112798431
3-[3-[2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 55627943
3-[3-[2-[2-hydroxyethyl(methyl)amino]acetyl]indol-1-yl]propanenitrile
CID 110880242
3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile
CID 122158284
3-[3-[2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 55988231
3-[3-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]indol-1-yl]propanenitrile
CID 78827612
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 56526464) is 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1.
What is the InChIKey of 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is GGMCUPICVMTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17(2)18(3)26-24(30)19-9-13-27(14-10-19)16-23(29)21-15-28(12-6-11-25)22-8-5-4-7-20(21)22/h4-5,7-8,15,17-19H,6,9-10,12-14,16H2,1-3H3,(H,26,30).
What are the key properties of 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56526464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).