(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

C19H25FN4O2 — CID 126440633

IUPAC(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCC[C@H]1CCCCN1C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O2/c1-26-11-9-17-4-2-3-10-23(17)19(25)21-12-15-13-22-24(14-15)18-7-5-16(20)6-8-18/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyIFBZNNGVODCZHZ-QGZVFWFLSA-N
MW360.43 g/mol
LogP3.11
Rot. Bonds6

About (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 126440633) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID126440633
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCC[C@H]1CCCCN1C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O2/c1-26-11-9-17-4-2-3-10-23(17)19(25)21-12-15-13-22-24(14-15)18-7-5-16(20)6-8-18/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyIFBZNNGVODCZHZ-QGZVFWFLSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 121499385
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea
CID 86970448
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (CID 126440633) is (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is COCC[C@H]1CCCCN1C(=O)NCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is IFBZNNGVODCZHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-26-11-9-17-4-2-3-10-23(17)19(25)21-12-15-13-22-24(14-15)18-7-5-16(20)6-8-18/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126440633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).