(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide

C20H25FN4O2 — CID 174195949

IUPAC(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccncc3F)[C@H](C)C2C)c1
InChIInChI=1S/C20H25FN4O2/c1-14-15(2)25(10-9-24(14)19-7-8-22-13-18(19)21)20(26)23-12-16-5-4-6-17(11-16)27-3/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,23,26)/t14-,15?/m1/s1
InChIKeyOHEUDQCLEAVIDE-GICMACPYSA-N
MW372.44 g/mol
LogP3.04
Rot. Bonds4

About (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide

(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide (PubChem CID 174195949) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
PubChem CID174195949
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccncc3F)[C@H](C)C2C)c1
InChIInChI=1S/C20H25FN4O2/c1-14-15(2)25(10-9-24(14)19-7-8-22-13-18(19)21)20(26)23-12-16-5-4-6-17(11-16)27-3/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,23,26)/t14-,15?/m1/s1
InChIKeyOHEUDQCLEAVIDE-GICMACPYSA-N
XLogP3.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
(2R)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 155749520
(2S)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 166049471
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797153
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 174195709
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide
CID 98772351
(2R)-N-[(3-methoxyphenyl)methyl]-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056302

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide?
The IUPAC name of (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide (CID 174195949) is (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(c3ccncc3F)[C@H](C)C2C)c1.
What is the InChIKey of (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide?
The InChIKey is OHEUDQCLEAVIDE-GICMACPYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14-15(2)25(10-9-24(14)19-7-8-22-13-18(19)21)20(26)23-12-16-5-4-6-17(11-16)27-3/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,23,26)/t14-,15?/m1/s1.
What are the key properties of (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide?
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 174195949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).