(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one

C17H17NO3 — CID 129395818

IUPAC(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
SMILESC[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCC1=O
InChIInChI=1S/C17H17NO3/c1-11-10-18(9-8-15(11)19)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h2-7,11,20H,8-10H2,1H3/t11-/m1/s1
InChIKeyPOKSCDPIQMYPMU-LLVKDONJSA-N
MW283.33 g/mol
LogP2.60
Rot. Bonds1

About (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one

(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one (PubChem CID 129395818) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
PubChem CID129395818
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
SMILESC[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCC1=O
InChIInChI=1S/C17H17NO3/c1-11-10-18(9-8-15(11)19)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h2-7,11,20H,8-10H2,1H3/t11-/m1/s1
InChIKeyPOKSCDPIQMYPMU-LLVKDONJSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914
1-(4-bromo-2-chlorobenzoyl)-3-methylpiperidin-4-one
CID 114499747
(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133121038
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 102788284
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
CID 114499855

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one?
The IUPAC name of (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one (CID 129395818) is (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one.
What is the SMILES notation for (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one?
The canonical SMILES for (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one is C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCC1=O.
What is the InChIKey of (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one?
The InChIKey is POKSCDPIQMYPMU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-10-18(9-8-15(11)19)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h2-7,11,20H,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one?
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 129395818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).