N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

C20H30N2O2 — CID 25386799

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C20H30N2O2/c1-15(2)18(14-23)21-19(24)20(22-10-6-3-7-11-22)12-16-8-4-5-9-17(16)13-20/h4-5,8-9,15,18,23H,3,6-7,10-14H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyKNVSZJYENLCRNL-GOSISDBHSA-N
MW330.47 g/mol
LogP2.14
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 25386799) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID25386799
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C20H30N2O2/c1-15(2)18(14-23)21-19(24)20(22-10-6-3-7-11-22)12-16-8-4-5-9-17(16)13-20/h4-5,8-9,15,18,23H,3,6-7,10-14H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyKNVSZJYENLCRNL-GOSISDBHSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (CID 25386799) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is CC(C)[C@@H](CO)NC(=O)C1(N2CCCCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is KNVSZJYENLCRNL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)18(14-23)21-19(24)20(22-10-6-3-7-11-22)12-16-8-4-5-9-17(16)13-20/h4-5,8-9,15,18,23H,3,6-7,10-14H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 25386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).