(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide

C18H22N4O2 — CID 97314638

IUPAC(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-20-10-11-22(16(13-20)14-6-4-3-5-7-14)18(24)19-15-8-9-17(23)21(2)12-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyDITAEWLKDBOOQA-INIZCTEOSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds2

About (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide

(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide (PubChem CID 97314638) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
PubChem CID97314638
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-20-10-11-22(16(13-20)14-6-4-3-5-7-14)18(24)19-15-8-9-17(23)21(2)12-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyDITAEWLKDBOOQA-INIZCTEOSA-N
XLogP1.91
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
(2S)-4-methyl-2-phenyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 51945996
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 51952919
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
CID 47041629
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 75865061

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide (CID 97314638) is (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide?
The InChIKey is DITAEWLKDBOOQA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-10-11-22(16(13-20)14-6-4-3-5-7-14)18(24)19-15-8-9-17(23)21(2)12-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide?
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 97314638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).