N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide

C16H20N2O3 — CID 126835386

IUPACN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC(=O)NC1
InChIInChI=1S/C16H20N2O3/c1-16(7-6-13(20)17-9-16)15(21)18-14-11-5-3-2-4-10(11)8-12(14)19/h2-5,12,14,19H,6-9H2,1H3,(H,17,20)(H,18,21)/t12-,14-,16?/m0/s1
InChIKeyLFQPSZDNRFXJRV-GKPPEQDDSA-N
MW288.35 g/mol
LogP0.68
Rot. Bonds2

About N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide

N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 126835386) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide
PubChem CID126835386
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC(=O)NC1
InChIInChI=1S/C16H20N2O3/c1-16(7-6-13(20)17-9-16)15(21)18-14-11-5-3-2-4-10(11)8-12(14)19/h2-5,12,14,19H,6-9H2,1H3,(H,17,20)(H,18,21)/t12-,14-,16?/m0/s1
InChIKeyLFQPSZDNRFXJRV-GKPPEQDDSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide (CID 126835386) is N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide is CC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC(=O)NC1.
What is the InChIKey of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is LFQPSZDNRFXJRV-GKPPEQDDSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(7-6-13(20)17-9-16)15(21)18-14-11-5-3-2-4-10(11)8-12(14)19/h2-5,12,14,19H,6-9H2,1H3,(H,17,20)(H,18,21)/t12-,14-,16?/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 126835386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).