2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide

C20H24N2O4 — CID 23585284

IUPAC2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
SMILESCNC(=O)C(O)C(O)C(=O)N1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O4/c1-21-19(25)17(23)18(24)20(26)22-11-9-14(10-12-22)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17-18,23-24H,9-12H2,1H3,(H,21,25)
InChIKeyYMOCIWPEVCKEJJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.01
Rot. Bonds4

About 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide

2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 23585284) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
PubChem CID23585284
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
SMILESCNC(=O)C(O)C(O)C(=O)N1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O4/c1-21-19(25)17(23)18(24)20(26)22-11-9-14(10-12-22)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17-18,23-24H,9-12H2,1H3,(H,21,25)
InChIKeyYMOCIWPEVCKEJJ-UHFFFAOYSA-N
XLogP1.01
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
CID 143478474
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 166303264
N-(5-chloro-2-pyridinyl)-2-(4-naphthalen-1-ylpiperidin-1-yl)-2-oxoacetamide
CID 138687757
(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
CID 71188145
(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
CID 101112915
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide (CID 23585284) is 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide is CNC(=O)C(O)C(O)C(=O)N1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is YMOCIWPEVCKEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-21-19(25)17(23)18(24)20(26)22-11-9-14(10-12-22)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17-18,23-24H,9-12H2,1H3,(H,21,25).
What are the key properties of 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide?
2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 356.42 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 23585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).