2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide

C22H26N2O4 — CID 23585285

IUPAC2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
SMILESCNC(=O)C(O)C(O)C(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-23-21(27)19(25)20(26)22(28)24-13-11-18(12-14-24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-20,25-26H,11-14H2,1H3,(H,23,27)
InChIKeyMCJCTVQGNQIKFB-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.53
Rot. Bonds5

About 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide

2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide (PubChem CID 23585285) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
PubChem CID23585285
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
SMILESCNC(=O)C(O)C(O)C(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-23-21(27)19(25)20(26)22(28)24-13-11-18(12-14-24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-20,25-26H,11-14H2,1H3,(H,23,27)
InChIKeyMCJCTVQGNQIKFB-UHFFFAOYSA-N
XLogP1.53
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
CID 23585284
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 58412828
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
CID 143478445
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
CID 88903716
(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
CID 71188145
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide (CID 23585285) is 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide is CNC(=O)C(O)C(O)C(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The InChIKey is MCJCTVQGNQIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-21(27)19(25)20(26)22(28)24-13-11-18(12-14-24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-20,25-26H,11-14H2,1H3,(H,23,27).
What are the key properties of 2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide has a molecular weight of 382.46 g/mol, XLogP of 1.53, 5 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-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 23585285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).