(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide

C12H25N3O2 — CID 118374682

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide
SMILESC[C@H](CCN1CCN(C)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(11(16)9-12(13)17)3-4-15-7-5-14(2)6-8-15/h10-11,16H,3-9H2,1-2H3,(H2,13,17)/t10-,11+/m1/s1
InChIKeyRIJHZEOCXPWTKF-MNOVXSKESA-N
MW243.35 g/mol
LogP-0.50
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide (PubChem CID 118374682) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide
PubChem CID118374682
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide
SMILESC[C@H](CCN1CCN(C)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(11(16)9-12(13)17)3-4-15-7-5-14(2)6-8-15/h10-11,16H,3-9H2,1-2H3,(H2,13,17)/t10-,11+/m1/s1
InChIKeyRIJHZEOCXPWTKF-MNOVXSKESA-N
XLogP-0.50
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide (CID 118374682) is (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide is C[C@H](CCN1CCN(C)CC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide?
The InChIKey is RIJHZEOCXPWTKF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(11(16)9-12(13)17)3-4-15-7-5-14(2)6-8-15/h10-11,16H,3-9H2,1-2H3,(H2,13,17)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide has a molecular weight of 243.35 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide is sourced from PubChem (CID 118374682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).