(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

C23H24N2O2 — CID 56723097

IUPAC(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1
InChIInChI=1S/C23H24N2O2/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3/t21-,22+/m0/s1
InChIKeySKMVIJGZZWPINQ-FCHUYYIVSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds3

About (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (PubChem CID 56723097) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
PubChem CID56723097
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1
InChIInChI=1S/C23H24N2O2/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3/t21-,22+/m0/s1
InChIKeySKMVIJGZZWPINQ-FCHUYYIVSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133121327
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 50952696
(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 50974295
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 133124285
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 133127141
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56722752

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (CID 56723097) is (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is CCc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1.
What is the InChIKey of (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The InChIKey is SKMVIJGZZWPINQ-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3/t21-,22+/m0/s1.
What are the key properties of (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 56723097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).