(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide

C15H25N5O4 — CID 122608512

IUPAC(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide
SMILESC[C@@H]1NCCN(CC(=O)N2CCN([C@@H](C)C(N)=O)C(=O)[C@@H]2C)C1=O
InChIInChI=1S/C15H25N5O4/c1-9-14(23)18(5-4-17-9)8-12(21)19-6-7-20(10(2)13(16)22)15(24)11(19)3/h9-11,17H,4-8H2,1-3H3,(H2,16,22)/t9-,10-,11-/m0/s1
InChIKeyUQSPUHHUOVMJAJ-DCAQKATOSA-N
MW339.40 g/mol
LogP-2.26
Rot. Bonds4

About (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide

(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide (PubChem CID 122608512) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide
PubChem CID122608512
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide
SMILESC[C@@H]1NCCN(CC(=O)N2CCN([C@@H](C)C(N)=O)C(=O)[C@@H]2C)C1=O
InChIInChI=1S/C15H25N5O4/c1-9-14(23)18(5-4-17-9)8-12(21)19-6-7-20(10(2)13(16)22)15(24)11(19)3/h9-11,17H,4-8H2,1-3H3,(H2,16,22)/t9-,10-,11-/m0/s1
InChIKeyUQSPUHHUOVMJAJ-DCAQKATOSA-N
XLogP-2.26
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide (CID 122608512) is (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide is C[C@@H]1NCCN(CC(=O)N2CCN([C@@H](C)C(N)=O)C(=O)[C@@H]2C)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide?
The InChIKey is UQSPUHHUOVMJAJ-DCAQKATOSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-9-14(23)18(5-4-17-9)8-12(21)19-6-7-20(10(2)13(16)22)15(24)11(19)3/h9-11,17H,4-8H2,1-3H3,(H2,16,22)/t9-,10-,11-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide?
(2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide has a molecular weight of 339.40 g/mol, XLogP of -2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-methyl-4-[2-[(3S)-3-methyl-2-oxopiperazin-1-yl]acetyl]-2-oxopiperazin-1-yl]propanamide is sourced from PubChem (CID 122608512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).