[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone

C17H18ClNO2 — CID 18106367

IUPAC[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeyOBKOHIQLEGBVIQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.61
Rot. Bonds2

About [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone

[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 18106367) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID18106367
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeyOBKOHIQLEGBVIQ-UHFFFAOYSA-N
XLogP4.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94076411
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
[5-(furan-2-yl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 71690133
[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355877
[5-(4-ethylphenyl)furan-2-yl]-[(3R)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 96565371
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1071905
N-[(4S,5S)-1-[5-(4-chlorophenyl)furan-2-carbonyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164328

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone (CID 18106367) is [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is OBKOHIQLEGBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).