N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

C27H33FN4O — CID 26274500

IUPACN-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C27H33FN4O/c1-20-17-26(31(3)29-20)27(33)30(2)25(18-21-7-5-4-6-8-21)23-13-15-32(16-14-23)19-22-9-11-24(28)12-10-22/h4-12,17,23,25H,13-16,18-19H2,1-3H3/t25-/m1/s1
InChIKeyOTKWICJQMVLSKY-RUZDIDTESA-N
MW448.59 g/mol
LogP4.46
Rot. Bonds7

About N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 26274500) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID26274500
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC NameN-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C27H33FN4O/c1-20-17-26(31(3)29-20)27(33)30(2)25(18-21-7-5-4-6-8-21)23-13-15-32(16-14-23)19-22-9-11-24(28)12-10-22/h4-12,17,23,25H,13-16,18-19H2,1-3H3/t25-/m1/s1
InChIKeyOTKWICJQMVLSKY-RUZDIDTESA-N
XLogP4.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45205013
N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45228845
N,2,5-trimethyl-N-[(1S)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322188
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45220738
N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 42366878
N-[(1R)-1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42368849
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42541793
N-[(1R)-1-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26317828
N-cyclopropyl-N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26278508

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 26274500) is N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)n(C)n1.
What is the InChIKey of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is OTKWICJQMVLSKY-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33FN4O/c1-20-17-26(31(3)29-20)27(33)30(2)25(18-21-7-5-4-6-8-21)23-13-15-32(16-14-23)19-22-9-11-24(28)12-10-22/h4-12,17,23,25H,13-16,18-19H2,1-3H3/t25-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 26274500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).