N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C30H30N4O2 — CID 56515688

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C30H30N4O2/c1-32(30(36)29(24-15-7-3-8-16-24)33-20-12-11-19-27(33)35)21-25-22-34(26-17-9-4-10-18-26)31-28(25)23-13-5-2-6-14-23/h2-10,13-18,22,29H,11-12,19-21H2,1H3
InChIKeyVNNQDFCMYJUVNS-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.25
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56515688) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56515688
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C30H30N4O2/c1-32(30(36)29(24-15-7-3-8-16-24)33-20-12-11-19-27(33)35)21-25-22-34(26-17-9-4-10-18-26)31-28(25)23-13-5-2-6-14-23/h2-10,13-18,22,29H,11-12,19-21H2,1H3
InChIKeyVNNQDFCMYJUVNS-UHFFFAOYSA-N
XLogP5.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide with MolForge

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577703
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119654619
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one
CID 9452071
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515351
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxophthalazine-1-carboxamide
CID 39763829

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56515688) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is VNNQDFCMYJUVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-32(30(36)29(24-15-7-3-8-16-24)33-20-12-11-19-27(33)35)21-25-22-34(26-17-9-4-10-18-26)31-28(25)23-13-5-2-6-14-23/h2-10,13-18,22,29H,11-12,19-21H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 478.60 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56515688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).