(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide

C12H22N2O4 — CID 90230566

IUPAC(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
SMILESC[C@H](CC(=O)N1CCC(O)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H22N2O4/c1-8(10(16)7-11(13)17)6-12(18)14-4-2-9(15)3-5-14/h8-10,15-16H,2-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeySZQDPWHNQOENSS-SCZZXKLOSA-N
MW258.32 g/mol
LogP-0.77
Rot. Bonds5

About (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide

(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide (PubChem CID 90230566) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
PubChem CID90230566
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
SMILESC[C@H](CC(=O)N1CCC(O)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H22N2O4/c1-8(10(16)7-11(13)17)6-12(18)14-4-2-9(15)3-5-14/h8-10,15-16H,2-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeySZQDPWHNQOENSS-SCZZXKLOSA-N
XLogP-0.77
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
CID 71236530
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
(3R,5R)-3,5-dihydroxy-7-(4-methylpiperazin-1-yl)-7-oxoheptanamide
CID 68946947
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
(3S)-1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 166250201
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3-[(4-hydroxycyclohexyl)amino]butanamide
CID 45281355
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
(3S,4R)-3-hydroxy-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylhexanamide
CID 118374753
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide (CID 90230566) is (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide is C[C@H](CC(=O)N1CCC(O)CC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide?
The InChIKey is SZQDPWHNQOENSS-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(10(16)7-11(13)17)6-12(18)14-4-2-9(15)3-5-14/h8-10,15-16H,2-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide?
(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide has a molecular weight of 258.32 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide is sourced from PubChem (CID 90230566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).