(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide

C16H20N4O — CID 94190145

IUPAC(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C16H20N4O/c1-13-5-3-9-19(12-13)16(21)18-14-6-2-7-15(11-14)20-10-4-8-17-20/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyWYYJCDVASFOBIP-CYBMUJFWSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds2

About (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide

(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 94190145) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
PubChem CID94190145
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C16H20N4O/c1-13-5-3-9-19(12-13)16(21)18-14-6-2-7-15(11-14)20-10-4-8-17-20/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyWYYJCDVASFOBIP-CYBMUJFWSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
CID 106912818
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
3-[3-[(3-methylpiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115277726
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26324219

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide (CID 94190145) is (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is WYYJCDVASFOBIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-5-3-9-19(12-13)16(21)18-14-6-2-7-15(11-14)20-10-4-8-17-20/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 94190145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).