N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C26H28F2N4O2 — CID 41447922

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C26H28F2N4O2/c1-17-23(18(2)32(30-17)16-19-6-4-3-5-7-19)15-29-25(33)20-10-12-31(13-11-20)26(34)22-9-8-21(27)14-24(22)28/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,29,33)
InChIKeyPJRWOKQDJVJJHP-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.00
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 41447922) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID41447922
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C26H28F2N4O2/c1-17-23(18(2)32(30-17)16-19-6-4-3-5-7-19)15-29-25(33)20-10-12-31(13-11-20)26(34)22-9-8-21(27)14-24(22)28/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,29,33)
InChIKeyPJRWOKQDJVJJHP-UHFFFAOYSA-N
XLogP4.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674498
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 17432528
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30904401
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885844
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
2-benzyl-5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121115530
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
1-(2,4-difluorobenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 39002971

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 41447922) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PJRWOKQDJVJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-17-23(18(2)32(30-17)16-19-6-4-3-5-7-19)15-29-25(33)20-10-12-31(13-11-20)26(34)22-9-8-21(27)14-24(22)28/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,29,33).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 41447922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).