(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid

C16H23N3O3 — CID 68913078

IUPAC(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCN1C(=O)O
InChIInChI=1S/C16H23N3O3/c1-12-11-18(9-10-19(12)16(21)22)14(15(20)17(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22)/t12-,14-/m1/s1
InChIKeyNXJIOLGZLGIFBT-TZMCWYRMSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds3

About (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid

(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 68913078) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
PubChem CID68913078
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCN1C(=O)O
InChIInChI=1S/C16H23N3O3/c1-12-11-18(9-10-19(12)16(21)22)14(15(20)17(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22)/t12-,14-/m1/s1
InChIKeyNXJIOLGZLGIFBT-TZMCWYRMSA-N
XLogP1.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
CID 68909215
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
(2R)-2-methyl-4-[(1S)-1-phenyl-2-(prop-2-enoxycarbonylamino)ethyl]piperazine-1-carboxylic acid
CID 68909428
4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175741805
2-[3-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2H-triazol-1-yl]piperidine-1-carboxylic acid
CID 175349367
1-[2-(dimethylamino)-2-oxo-1-phenylethyl]-N-propylpiperidine-4-carboxamide
CID 134046466
(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 95785736
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
(3aS,6aR)-2-[2-(dimethylamino)-2-oxo-1-phenylethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681116

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid (CID 68913078) is (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCN1C(=O)O.
What is the InChIKey of (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is NXJIOLGZLGIFBT-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-11-18(9-10-19(12)16(21)22)14(15(20)17(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22)/t12-,14-/m1/s1.
What are the key properties of (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68913078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).