[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C21H23N3O2 — CID 70755983

IUPAC[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(19-5-1-4-18(16-19)20-6-2-15-26-20)23-12-7-17(8-13-23)9-14-24-11-3-10-22-24/h1-6,10-11,15-17H,7-9,12-14H2
InChIKeyBKVMTPRAJAOITQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.09
Rot. Bonds5

About [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 70755983) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID70755983
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(19-5-1-4-18(16-19)20-6-2-15-26-20)23-12-7-17(8-13-23)9-14-24-11-3-10-22-24/h1-6,10-11,15-17H,7-9,12-14H2
InChIKeyBKVMTPRAJAOITQ-UHFFFAOYSA-N
XLogP4.09
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 72877787
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
CID 175751261
[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 45216463
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 70755983) is [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1cccc(-c2ccco2)c1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is BKVMTPRAJAOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(19-5-1-4-18(16-19)20-6-2-15-26-20)23-12-7-17(8-13-23)9-14-24-11-3-10-22-24/h1-6,10-11,15-17H,7-9,12-14H2.
What are the key properties of [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70755983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).