(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide

C19H21F2N3O2 — CID 51952919

IUPAC(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(OC(F)F)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21F2N3O2/c1-23-10-11-24(17(13-23)14-6-3-2-4-7-14)19(25)22-15-8-5-9-16(12-15)26-18(20)21/h2-9,12,17-18H,10-11,13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyMJZFLQYQCTVTNB-QGZVFWFLSA-N
MW361.39 g/mol
LogP3.81
Rot. Bonds4

About (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide

(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 51952919) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID51952919
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(OC(F)F)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21F2N3O2/c1-23-10-11-24(17(13-23)14-6-3-2-4-7-14)19(25)22-15-8-5-9-16(12-15)26-18(20)21/h2-9,12,17-18H,10-11,13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyMJZFLQYQCTVTNB-QGZVFWFLSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 8600373
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
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
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one
CID 46533915
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
CID 47041629
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
N-[3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443095
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide (CID 51952919) is (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccc(OC(F)F)c2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is MJZFLQYQCTVTNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-10-11-24(17(13-23)14-6-3-2-4-7-14)19(25)22-15-8-5-9-16(12-15)26-18(20)21/h2-9,12,17-18H,10-11,13H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51952919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).