4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one

C17H23N3O3 — CID 164631233

IUPAC4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CCNC(=O)C1)C[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-19(11-16(22)20-9-8-18-15(21)10-20)12-17(23)7-6-13-4-2-3-5-14(13)17/h2-5,23H,6-12H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyGIVALUWUXGRVSI-QGZVFWFLSA-N
MW317.39 g/mol
LogP-0.29
Rot. Bonds4

About 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one

4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one (PubChem CID 164631233) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
PubChem CID164631233
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CCNC(=O)C1)C[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-19(11-16(22)20-9-8-18-15(21)10-20)12-17(23)7-6-13-4-2-3-5-14(13)17/h2-5,23H,6-12H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyGIVALUWUXGRVSI-QGZVFWFLSA-N
XLogP-0.29
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one with MolForge

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Related Compounds

N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-(4-Hydroxy-4-phenyl-piperidin-1-yl)-N-isopropyl-acetamide
CID 652677
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 3228760
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782135
N1-(4-fluorobenzyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782200
N-cyclohexyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3228769
N1-cyclopentyl-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765392
N1-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 71781851
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71782164
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one (CID 164631233) is 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one is CN(CC(=O)N1CCNC(=O)C1)C[C@]1(O)CCc2ccccc21.
What is the InChIKey of 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one?
The InChIKey is GIVALUWUXGRVSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(11-16(22)20-9-8-18-15(21)10-20)12-17(23)7-6-13-4-2-3-5-14(13)17/h2-5,23H,6-12H2,1H3,(H,18,21)/t17-/m1/s1.
What are the key properties of 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one?
4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one is sourced from PubChem (CID 164631233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).