N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide

C17H24N2O — CID 63132083

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc3c(c2)CCC3)CCCNC1
InChIInChI=1S/C17H24N2O/c1-2-17(9-4-10-18-12-17)16(20)19-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3,(H,19,20)
InChIKeyCXPZOQBRDCYIIW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.89
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63132083) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
PubChem CID63132083
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc3c(c2)CCC3)CCCNC1
InChIInChI=1S/C17H24N2O/c1-2-17(9-4-10-18-12-17)16(20)19-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3,(H,19,20)
InChIKeyCXPZOQBRDCYIIW-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide (CID 63132083) is N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2ccc3c(c2)CCC3)CCCNC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is CXPZOQBRDCYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-17(9-4-10-18-12-17)16(20)19-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63132083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).