N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide

C13H19N3O2 — CID 112758522

IUPACN-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccccc1N1CCN(C(=O)NC)CC1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)16-9-7-15(8-10-16)11-5-3-4-6-12(11)18-2/h3-6H,7-10H2,1-2H3,(H,14,17)/i2D3
InChIKeyZQNJCCQBAALIAB-BMSJAHLVSA-N
MW252.33 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide

N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 112758522) has the molecular formula C13H19N3O2 and a molecular weight of 252.33 g/mol. Its IUPAC name is N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide
PubChem CID112758522
Molecular FormulaC13H19N3O2
Molecular Weight252.33 g/mol
Exact Mass252.17
IUPAC NameN-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccccc1N1CCN(C(=O)NC)CC1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)16-9-7-15(8-10-16)11-5-3-4-6-12(11)18-2/h3-6H,7-10H2,1-2H3,(H,14,17)/i2D3
InChIKeyZQNJCCQBAALIAB-BMSJAHLVSA-N
XLogP1.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108911493
N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
CID 146132273
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide (CID 112758522) is N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide is [2H]C([2H])([2H])Oc1ccccc1N1CCN(C(=O)NC)CC1.
What is the InChIKey of N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZQNJCCQBAALIAB-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-13(17)16-9-7-15(8-10-16)11-5-3-4-6-12(11)18-2/h3-6H,7-10H2,1-2H3,(H,14,17)/i2D3.
What are the key properties of N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide?
N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 252.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 112758522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).