2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone

C28H32N4O2 — CID 46377856

IUPAC2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C28H32N4O2/c33-26(30-16-8-3-9-17-30)20-22-14-18-31(19-15-22)28(34)25-21-32(24-12-6-2-7-13-24)29-27(25)23-10-4-1-5-11-23/h1-2,4-7,10-13,21-22H,3,8-9,14-20H2
InChIKeyWQZVQPQFCIXDJQ-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.79
Rot. Bonds5

About 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone

2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone (PubChem CID 46377856) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
PubChem CID46377856
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C28H32N4O2/c33-26(30-16-8-3-9-17-30)20-22-14-18-31(19-15-22)28(34)25-21-32(24-12-6-2-7-13-24)29-27(25)23-10-4-1-5-11-23/h1-2,4-7,10-13,21-22H,3,8-9,14-20H2
InChIKeyWQZVQPQFCIXDJQ-UHFFFAOYSA-N
XLogP4.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 46377888
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46377846
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 46377850
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
2-[4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42574776
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880146

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone (CID 46377856) is 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone is O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is WQZVQPQFCIXDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-26(30-16-8-3-9-17-30)20-22-14-18-31(19-15-22)28(34)25-21-32(24-12-6-2-7-13-24)29-27(25)23-10-4-1-5-11-23/h1-2,4-7,10-13,21-22H,3,8-9,14-20H2.
What are the key properties of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 456.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 46377856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).