(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide

C24H32N4O2 — CID 30740688

IUPAC(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-25(2)23(29)21(19-11-7-5-8-12-19)27-15-17-28(18-16-27)22(24(30)26(3)4)20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22+
InChIKeyHHIPJPORNXPWDN-SZPZYZBQSA-N
MW408.55 g/mol
LogP2.26
Rot. Bonds6

About (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 30740688) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID30740688
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-25(2)23(29)21(19-11-7-5-8-12-19)27-15-17-28(18-16-27)22(24(30)26(3)4)20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22+
InChIKeyHHIPJPORNXPWDN-SZPZYZBQSA-N
XLogP2.26
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598
(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
CID 68913078
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
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)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30040356
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
(2R)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-phenylacetamide
CID 34787872
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 30740688) is (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is HHIPJPORNXPWDN-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25(2)23(29)21(19-11-7-5-8-12-19)27-15-17-28(18-16-27)22(24(30)26(3)4)20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22+.
What are the key properties of (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 408.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 30740688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).