3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

C19H26N2O3 — CID 111696413

IUPAC3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(=O)N1CCC(CCC(=O)NC2c3ccccc3CC2O)CC1
InChIInChI=1S/C19H26N2O3/c1-13(22)21-10-8-14(9-11-21)6-7-18(24)20-19-16-5-3-2-4-15(16)12-17(19)23/h2-5,14,17,19,23H,6-12H2,1H3,(H,20,24)
InChIKeyVBLBFYNGFJERTK-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.80
Rot. Bonds4

About 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 111696413) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID111696413
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(=O)N1CCC(CCC(=O)NC2c3ccccc3CC2O)CC1
InChIInChI=1S/C19H26N2O3/c1-13(22)21-10-8-14(9-11-21)6-7-18(24)20-19-16-5-3-2-4-15(16)12-17(19)23/h2-5,14,17,19,23H,6-12H2,1H3,(H,20,24)
InChIKeyVBLBFYNGFJERTK-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.80
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-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide
CID 111696515
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(oxolan-2-yl)propanamide
CID 103816964
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 136580702
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 111696413) is 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is CC(=O)N1CCC(CCC(=O)NC2c3ccccc3CC2O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is VBLBFYNGFJERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(22)21-10-8-14(9-11-21)6-7-18(24)20-19-16-5-3-2-4-15(16)12-17(19)23/h2-5,14,17,19,23H,6-12H2,1H3,(H,20,24).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 111696413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).