(3-chloropiperidin-1-yl)-(furan-2-yl)methanone

C10H12ClNO2 — CID 63392823

IUPAC(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(Cl)C1
InChIInChI=1S/C10H12ClNO2/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2
InChIKeyQVYXOXYYMHLSFG-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.12
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(furan-2-yl)methanone

(3-chloropiperidin-1-yl)-(furan-2-yl)methanone (PubChem CID 63392823) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
PubChem CID63392823
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(Cl)C1
InChIInChI=1S/C10H12ClNO2/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2
InChIKeyQVYXOXYYMHLSFG-UHFFFAOYSA-N
XLogP2.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.12
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

furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84609797
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(furan-2-yl)methanone (CID 63392823) is (3-chloropiperidin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(furan-2-yl)methanone?
The InChIKey is QVYXOXYYMHLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2.
What are the key properties of (3-chloropiperidin-1-yl)-(furan-2-yl)methanone?
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone has a molecular weight of 213.66 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 63392823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).