1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone

C19H21N3O2 — CID 95606705

IUPAC1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C19H21N3O2/c1-13-10-14(2)22(20-13)16-7-5-9-21(12-16)19(23)18-11-15-6-3-4-8-17(15)24-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyOSVGDHMGSQEKCZ-INIZCTEOSA-N
MW323.40 g/mol
LogP3.72
Rot. Bonds2

About 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone

1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95606705) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95606705
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C19H21N3O2/c1-13-10-14(2)22(20-13)16-7-5-9-21(12-16)19(23)18-11-15-6-3-4-8-17(15)24-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyOSVGDHMGSQEKCZ-INIZCTEOSA-N
XLogP3.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95606705) is 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1.
What is the InChIKey of 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is OSVGDHMGSQEKCZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-14(2)22(20-13)16-7-5-9-21(12-16)19(23)18-11-15-6-3-4-8-17(15)24-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95606705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).