(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone

C10H11Cl2NO2 — CID 106689868

IUPAC(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCC(Cl)C1
InChIInChI=1S/C10H11Cl2NO2/c11-7-2-1-5-13(6-7)10(14)8-3-4-9(12)15-8/h3-4,7H,1-2,5-6H2
InChIKeyPCDPZNNBYZAETI-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.78
Rot. Bonds1

About (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone

(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone (PubChem CID 106689868) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
PubChem CID106689868
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCC(Cl)C1
InChIInChI=1S/C10H11Cl2NO2/c11-7-2-1-5-13(6-7)10(14)8-3-4-9(12)15-8/h3-4,7H,1-2,5-6H2
InChIKeyPCDPZNNBYZAETI-UHFFFAOYSA-N
XLogP2.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 103725307
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone
CID 74237771
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 80553743
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone (CID 106689868) is (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone is O=C(c1ccc(Cl)o1)N1CCCC(Cl)C1.
What is the InChIKey of (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone?
The InChIKey is PCDPZNNBYZAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-7-2-1-5-13(6-7)10(14)8-3-4-9(12)15-8/h3-4,7H,1-2,5-6H2.
What are the key properties of (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone?
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone has a molecular weight of 248.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone is sourced from PubChem (CID 106689868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).