2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

C28H32N4O3 — CID 46377846

IUPAC2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C28H32N4O3/c33-26(29-19-24-12-7-17-35-24)18-21-13-15-31(16-14-21)28(34)25-20-32(23-10-5-2-6-11-23)30-27(25)22-8-3-1-4-9-22/h1-6,8-11,20-21,24H,7,12-19H2,(H,29,33)
InChIKeyWQTLQGAJNCPRDJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.08
Rot. Bonds7

About 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46377846) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46377846
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C28H32N4O3/c33-26(29-19-24-12-7-17-35-24)18-21-13-15-31(16-14-21)28(34)25-20-32(23-10-5-2-6-11-23)30-27(25)22-8-3-1-4-9-22/h1-6,8-11,20-21,24H,7,12-19H2,(H,29,33)
InChIKeyWQTLQGAJNCPRDJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92880086
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 46377850
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 23876125
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 42992214
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
N-[[(2R)-oxolan-2-yl]methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 92503911
N-(oxolan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971754
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
2-[1-[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 46377888
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 46377846) is 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCC1CCCO1.
What is the InChIKey of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WQTLQGAJNCPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-26(29-19-24-12-7-17-35-24)18-21-13-15-31(16-14-21)28(34)25-20-32(23-10-5-2-6-11-23)30-27(25)22-8-3-1-4-9-22/h1-6,8-11,20-21,24H,7,12-19H2,(H,29,33).
What are the key properties of 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46377846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).