1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide

C17H23N3O2 — CID 56819403

IUPAC1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
SMILESCc1ccc2c(c1)CCC2NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-11-2-4-14-13(10-11)3-5-15(14)19-17(22)20-8-6-12(7-9-20)16(18)21/h2,4,10,12,15H,3,5-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyBOUGOFIVNUOGJB-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds2

About 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide

1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide (PubChem CID 56819403) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
PubChem CID56819403
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
SMILESCc1ccc2c(c1)CCC2NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-11-2-4-14-13(10-11)3-5-15(14)19-17(22)20-8-6-12(7-9-20)16(18)21/h2,4,10,12,15H,3,5-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyBOUGOFIVNUOGJB-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide (CID 56819403) is 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide is Cc1ccc2c(c1)CCC2NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The InChIKey is BOUGOFIVNUOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-2-4-14-13(10-11)3-5-15(14)19-17(22)20-8-6-12(7-9-20)16(18)21/h2,4,10,12,15H,3,5-9H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56819403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).