(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

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Related Compounds

2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]propanamide
CID 79333210
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]propanamide
CID 123676891
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
2-[4-ethyl-7-methyl-10-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122577878
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63336209
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
CID 131737033

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).