2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

C21H30N2O2 — CID 51093739

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H30N2O2/c1-15(2)12-21(25)23-10-8-19(9-11-23)22-20(24)14-16-6-7-17-4-3-5-18(17)13-16/h6-7,13,15,19H,3-5,8-12,14H2,1-2H3,(H,22,24)
InChIKeyUSCXGMGBXHUTGX-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide (PubChem CID 51093739) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
PubChem CID51093739
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H30N2O2/c1-15(2)12-21(25)23-10-8-19(9-11-23)22-20(24)14-16-6-7-17-4-3-5-18(17)13-16/h6-7,13,15,19H,3-5,8-12,14H2,1-2H3,(H,22,24)
InChIKeyUSCXGMGBXHUTGX-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6464276
N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6465707
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 6466086
2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6469553
N-[1-(3,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6469972
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 11612607
2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810979
2-Cyclopentyl-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-2-phenyl-acetamide
CID 14973192
N-(3-{2,3-dihydrospiro[indene-1,4''-piperidine]-1''-yl}propyl)-1-phenylcyclohexane-1-carboxamide
CID 44407013

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide (CID 51093739) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide is CC(C)CC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The InChIKey is USCXGMGBXHUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)12-21(25)23-10-8-19(9-11-23)22-20(24)14-16-6-7-17-4-3-5-18(17)13-16/h6-7,13,15,19H,3-5,8-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 51093739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).