N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide

C20H27N3O2 — CID 42698643

IUPACN-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-14(2)19(24)22-18(20(25)23-10-6-3-7-11-23)12-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18,21H,3,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyPTUUPTPHZGQFMR-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.86
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide

N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 42698643) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
PubChem CID42698643
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-14(2)19(24)22-18(20(25)23-10-6-3-7-11-23)12-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18,21H,3,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyPTUUPTPHZGQFMR-UHFFFAOYSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide
CID 69283624
N-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878211
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
N-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878210
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-methoxybenzamide
CID 110286402
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
N-[3-(1H-indol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650708
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide (CID 42698643) is N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The InChIKey is PTUUPTPHZGQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)19(24)22-18(20(25)23-10-6-3-7-11-23)12-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18,21H,3,6-7,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 42698643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).