(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide

C20H25N3O4S — CID 143155588

IUPAC(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(NCCc1cccs1)[C@H](O)C(O)C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H25N3O4S/c24-17(19(26)22-10-8-15-6-4-12-28-15)18(25)20(27)23-11-2-1-7-16(23)14-5-3-9-21-13-14/h3-6,9,12-13,16-18,24-25H,1-2,7-8,10-11H2,(H,22,26)/t16?,17-,18?/m1/s1
InChIKeyRCJMVOXZAISPNY-LXPRWKDFSA-N
MW403.50 g/mol
LogP1.28
Rot. Bonds7

About (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide

(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 143155588) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID143155588
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(NCCc1cccs1)[C@H](O)C(O)C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H25N3O4S/c24-17(19(26)22-10-8-15-6-4-12-28-15)18(25)20(27)23-11-2-1-7-16(23)14-5-3-9-21-13-14/h3-6,9,12-13,16-18,24-25H,1-2,7-8,10-11H2,(H,22,26)/t16?,17-,18?/m1/s1
InChIKeyRCJMVOXZAISPNY-LXPRWKDFSA-N
XLogP1.28
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
(2R,3R)-2,3-dihydroxy-4-[(2S)-2-(4-methylcycloheptyl)pyrrolidin-1-yl]-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143153799
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115286096
N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;ethane
CID 143479266
(2R,3R)-4-[2-(6-fluoroheptan-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143154239
tert-butyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-3-pyridin-3-ylpiperazine-1-carboxylate
CID 119040409
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2R,3R)-4-[(2R)-2-[[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]sulfanylmethyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143155603
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166699
2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 177166738
(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 11705898

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide (CID 143155588) is (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide is O=C(NCCc1cccs1)[C@H](O)C(O)C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is RCJMVOXZAISPNY-LXPRWKDFSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-17(19(26)22-10-8-15-6-4-12-28-15)18(25)20(27)23-11-2-1-7-16(23)14-5-3-9-21-13-14/h3-6,9,12-13,16-18,24-25H,1-2,7-8,10-11H2,(H,22,26)/t16?,17-,18?/m1/s1.
What are the key properties of (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide?
(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 403.50 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 143155588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).