[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C18H20ClNO2 — CID 94076411

IUPAC[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(Cl)ccc1-c1ccc(C(=O)N2CCCC[C@H]2C)o1
InChIInChI=1S/C18H20ClNO2/c1-12-11-14(19)6-7-15(12)16-8-9-17(22-16)18(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyKFHGIAVKTOIKFV-CYBMUJFWSA-N
MW317.82 g/mol
LogP4.92
Rot. Bonds2

About [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 94076411) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID94076411
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(Cl)ccc1-c1ccc(C(=O)N2CCCC[C@H]2C)o1
InChIInChI=1S/C18H20ClNO2/c1-12-11-14(19)6-7-15(12)16-8-9-17(22-16)18(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyKFHGIAVKTOIKFV-CYBMUJFWSA-N
XLogP4.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 94076411) is [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCCC[C@H]2C)o1.
What is the InChIKey of [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is KFHGIAVKTOIKFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-11-14(19)6-7-15(12)16-8-9-17(22-16)18(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3/t13-/m1/s1.
What are the key properties of [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 317.82 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94076411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).