(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C22H29N3O4S — CID 110148797

IUPAC(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1
InChIInChI=1S/C22H29N3O4S/c1-30(27,28)19-15-23-24-20(19)18-8-5-11-25(16-18)21(26)22(9-12-29-13-10-22)14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14,16H2,1H3,(H,23,24)
InChIKeyBHCSITJBAALILM-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.56
Rot. Bonds5

About (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110148797) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110148797
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1
InChIInChI=1S/C22H29N3O4S/c1-30(27,28)19-15-23-24-20(19)18-8-5-11-25(16-18)21(26)22(9-12-29-13-10-22)14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14,16H2,1H3,(H,23,24)
InChIKeyBHCSITJBAALILM-UHFFFAOYSA-N
XLogP2.56
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone 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

1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124945178
(2-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652651
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
(3S)-1-[(3-methylphenyl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124990081
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001889
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888

Frequently Asked Questions

What is the IUPAC name of (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 110148797) is (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1.
What is the InChIKey of (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BHCSITJBAALILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-30(27,28)19-15-23-24-20(19)18-8-5-11-25(16-18)21(26)22(9-12-29-13-10-22)14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14,16H2,1H3,(H,23,24).
What are the key properties of (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 431.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110148797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).