N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C28H34N4O2 — CID 24610629

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-28(2,3)27(34)31-16-14-23(15-17-31)26(33)29-18-24-20-32(19-21-10-6-4-7-11-21)30-25(24)22-12-8-5-9-13-22/h4-13,20,23H,14-19H2,1-3H3,(H,29,33)
InChIKeyYOMDYAPVDYDVLV-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.50
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 24610629) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID24610629
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-28(2,3)27(34)31-16-14-23(15-17-31)26(33)29-18-24-20-32(19-21-10-6-4-7-11-21)30-25(24)22-12-8-5-9-13-22/h4-13,20,23H,14-19H2,1-3H3,(H,29,33)
InChIKeyYOMDYAPVDYDVLV-UHFFFAOYSA-N
XLogP4.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
CID 119123380
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 27841140
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 24610629) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is YOMDYAPVDYDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-28(2,3)27(34)31-16-14-23(15-17-31)26(33)29-18-24-20-32(19-21-10-6-4-7-11-21)30-25(24)22-12-8-5-9-13-22/h4-13,20,23H,14-19H2,1-3H3,(H,29,33).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.50, 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-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24610629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).