(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide

C10H21N3O2 — CID 129298588

IUPAC(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
SMILESCOCC[C@@H](C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-12-4-6-13(7-5-12)9(10(11)14)3-8-15-2/h9H,3-8H2,1-2H3,(H2,11,14)/t9-/m0/s1
InChIKeyKNSZSWXRJOADRZ-VIFPVBQESA-N
MW215.30 g/mol
LogP-0.88
Rot. Bonds5

About (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide

(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide (PubChem CID 129298588) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
PubChem CID129298588
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
SMILESCOCC[C@@H](C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-12-4-6-13(7-5-12)9(10(11)14)3-8-15-2/h9H,3-8H2,1-2H3,(H2,11,14)/t9-/m0/s1
InChIKeyKNSZSWXRJOADRZ-VIFPVBQESA-N
XLogP-0.88
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide (CID 129298588) is (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide is COCC[C@@H](C(N)=O)N1CCN(C)CC1.
What is the InChIKey of (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is KNSZSWXRJOADRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-4-6-13(7-5-12)9(10(11)14)3-8-15-2/h9H,3-8H2,1-2H3,(H2,11,14)/t9-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide?
(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 129298588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).