(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide

C10H20N4O2 — CID 178165345

IUPAC(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide
SMILES[2H]C([2H])([2H])N1CCN(CC(=O)N[C@@H](C)C(N)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(10(11)16)12-9(15)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15)/t8-/m0/s1/i2D3
InChIKeyQIQLJOFGUCEEHA-XYIHWPHSSA-N
MW231.31 g/mol
LogP-1.78
Rot. Bonds5

About (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide

(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide (PubChem CID 178165345) has the molecular formula C10H20N4O2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide
PubChem CID178165345
Molecular FormulaC10H20N4O2
Molecular Weight231.31 g/mol
Exact Mass231.18
IUPAC Name(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide
SMILES[2H]C([2H])([2H])N1CCN(CC(=O)N[C@@H](C)C(N)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(10(11)16)12-9(15)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15)/t8-/m0/s1/i2D3
InChIKeyQIQLJOFGUCEEHA-XYIHWPHSSA-N
XLogP-1.78
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
1-Ethyl-2,3-piperazinedione
CID 108812
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N-isopropyl-1-piperazineacetamide
CID 100826
Glycyl-l-alaninamide
CID 7019077
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
Alanine anhydride, trans-(A+-)-
CID 676438
2,3-Piperazinedione, 1-methyl-
CID 3042433
4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide?
The IUPAC name of (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide (CID 178165345) is (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide is [2H]C([2H])([2H])N1CCN(CC(=O)N[C@@H](C)C(N)=O)CC1.
What is the InChIKey of (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide?
The InChIKey is QIQLJOFGUCEEHA-XYIHWPHSSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(10(11)16)12-9(15)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15)/t8-/m0/s1/i2D3.
What are the key properties of (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide?
(2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide has a molecular weight of 231.31 g/mol, XLogP of -1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]propanamide is sourced from PubChem (CID 178165345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).