4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide

C20H28N2O3 — CID 86783671

IUPAC4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide
SMILESCC1CCc2ccccc2C1NC(=O)CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C20H28N2O3/c1-14-6-7-15-4-2-3-5-17(15)20(14)21-18(24)8-9-19(25)22-12-10-16(23)11-13-22/h2-5,14,16,20,23H,6-13H2,1H3,(H,21,24)
InChIKeySZWDEACRBDVZBN-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.19
Rot. Bonds4

About 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide

4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide (PubChem CID 86783671) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide
PubChem CID86783671
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide
SMILESCC1CCc2ccccc2C1NC(=O)CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C20H28N2O3/c1-14-6-7-15-4-2-3-5-17(15)20(14)21-18(24)8-9-19(25)22-12-10-16(23)11-13-22/h2-5,14,16,20,23H,6-13H2,1H3,(H,21,24)
InChIKeySZWDEACRBDVZBN-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide (CID 86783671) is 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide is CC1CCc2ccccc2C1NC(=O)CCC(=O)N1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide?
The InChIKey is SZWDEACRBDVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-6-7-15-4-2-3-5-17(15)20(14)21-18(24)8-9-19(25)22-12-10-16(23)11-13-22/h2-5,14,16,20,23H,6-13H2,1H3,(H,21,24).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide?
4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide has a molecular weight of 344.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxobutanamide is sourced from PubChem (CID 86783671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).