4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide

C17H24N2O2 — CID 107222269

IUPAC4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1
InChIInChI=1S/C17H24N2O2/c1-2-11-7-8-18-14(9-11)17(21)19-16-13-6-4-3-5-12(13)10-15(16)20/h3-6,11,14-16,18,20H,2,7-10H2,1H3,(H,19,21)/t11?,14?,15-,16+/m0/s1
InChIKeyGHQDVZCATOOSDR-ZWHFUDEPSA-N
MW288.39 g/mol
LogP1.54
Rot. Bonds3

About 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide

4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide (PubChem CID 107222269) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
PubChem CID107222269
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1
InChIInChI=1S/C17H24N2O2/c1-2-11-7-8-18-14(9-11)17(21)19-16-13-6-4-3-5-12(13)10-15(16)20/h3-6,11,14-16,18,20H,2,7-10H2,1H3,(H,19,21)/t11?,14?,15-,16+/m0/s1
InChIKeyGHQDVZCATOOSDR-ZWHFUDEPSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide (CID 107222269) is 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide is CCC1CCNC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1.
What is the InChIKey of 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The InChIKey is GHQDVZCATOOSDR-ZWHFUDEPSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-11-7-8-18-14(9-11)17(21)19-16-13-6-4-3-5-12(13)10-15(16)20/h3-6,11,14-16,18,20H,2,7-10H2,1H3,(H,19,21)/t11?,14?,15-,16+/m0/s1.
What are the key properties of 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide is sourced from PubChem (CID 107222269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).