N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide

C17H24N2O2 — CID 136580702

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-19(9-7-12)11-16(21)18-17-14-5-3-2-4-13(14)10-15(17)20/h2-5,12,15,17,20H,6-11H2,1H3,(H,18,21)/t15-,17+/m1/s1
InChIKeyWBLOXZGJOWEYGY-WBVHZDCISA-N
MW288.39 g/mol
LogP1.49
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 136580702) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID136580702
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-19(9-7-12)11-16(21)18-17-14-5-3-2-4-13(14)10-15(17)20/h2-5,12,15,17,20H,6-11H2,1H3,(H,18,21)/t15-,17+/m1/s1
InChIKeyWBLOXZGJOWEYGY-WBVHZDCISA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 74240162
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696413
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111658872
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide (CID 136580702) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is WBLOXZGJOWEYGY-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-8-19(9-7-12)11-16(21)18-17-14-5-3-2-4-13(14)10-15(17)20/h2-5,12,15,17,20H,6-11H2,1H3,(H,18,21)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 136580702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).