(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

C20H21F2N3O2 — CID 125174412

IUPAC(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)Nc3cccc(F)c3F)[C@H](C)C2=O)c1
InChIInChI=1S/C20H21F2N3O2/c1-13-5-3-6-15(11-13)12-24-9-10-25(14(2)19(24)26)20(27)23-17-8-4-7-16(21)18(17)22/h3-8,11,14H,9-10,12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyDFTJZDJSNBJPDA-CQSZACIVSA-N
MW373.40 g/mol
LogP3.54
Rot. Bonds3

About (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 125174412) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID125174412
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)Nc3cccc(F)c3F)[C@H](C)C2=O)c1
InChIInChI=1S/C20H21F2N3O2/c1-13-5-3-6-15(11-13)12-24-9-10-25(14(2)19(24)26)20(27)23-17-8-4-7-16(21)18(17)22/h3-8,11,14H,9-10,12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyDFTJZDJSNBJPDA-CQSZACIVSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119065622
(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxo-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126428979
3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]piperazin-2-one
CID 46998864
4-[1-(2-aminoethyl)triazole-4-carbonyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one;hydrochloride
CID 154891465
N-(2,3-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098642
3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide
CID 124749511
5-[[(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124753780
N-(2-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814175
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122556170
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (CID 125174412) is (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)Nc3cccc(F)c3F)[C@H](C)C2=O)c1.
What is the InChIKey of (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is DFTJZDJSNBJPDA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-13-5-3-6-15(11-13)12-24-9-10-25(14(2)19(24)26)20(27)23-17-8-4-7-16(21)18(17)22/h3-8,11,14H,9-10,12H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125174412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).