(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide

C18H22F2N4O — CID 124882392

IUPAC(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22F2N4O/c1-12-15(16(17(19)20)23-22-12)21-18(25)14-8-5-9-24(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-11H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyXPBSDKRARGPLKH-CQSZACIVSA-N
MW348.40 g/mol
LogP3.51
Rot. Bonds5

About (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide

(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 124882392) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID124882392
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22F2N4O/c1-12-15(16(17(19)20)23-22-12)21-18(25)14-8-5-9-24(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-11H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyXPBSDKRARGPLKH-CQSZACIVSA-N
XLogP3.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-benzyl-N-(5-ethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 48508171
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-propanoylpyrrolidine-3-carboxamide
CID 146131543
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93492077
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide (CID 124882392) is (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide is Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is XPBSDKRARGPLKH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-12-15(16(17(19)20)23-22-12)21-18(25)14-8-5-9-24(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-11H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide?
(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 124882392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).