[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone

C17H18ClNO2 — CID 18105311

IUPAC[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H18ClNO2/c1-12-5-4-10-19(11-12)17(20)16-9-8-15(21-16)13-6-2-3-7-14(13)18/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyDTLAOWGXMWZBTP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.47
Rot. Bonds2

About [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 18105311) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID18105311
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H18ClNO2/c1-12-5-4-10-19(11-12)17(20)16-9-8-15(21-16)13-6-2-3-7-14(13)18/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyDTLAOWGXMWZBTP-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154801117
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70744841
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 91679685
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56888923
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 18105311) is [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DTLAOWGXMWZBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-5-4-10-19(11-12)17(20)16-9-8-15(21-16)13-6-2-3-7-14(13)18/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18105311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).