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

C11H14ClNO2 — CID 63393139

IUPAC(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C11H14ClNO2/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13/h4,6,9H,2-3,5,7H2,1H3
InChIKeySLSJANZGUGMMGZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.43
Rot. Bonds1

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

(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone (PubChem CID 63393139) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
PubChem CID63393139
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C11H14ClNO2/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13/h4,6,9H,2-3,5,7H2,1H3
InChIKeySLSJANZGUGMMGZ-UHFFFAOYSA-N
XLogP2.43
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.43
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

(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
[3-(2-chloroethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63396186
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
1-(3-methylfuran-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43035253
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
CID 129343325
1-[(3S)-1-(3-methylfuran-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97332238
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone (CID 63393139) is (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone?
The InChIKey is SLSJANZGUGMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of (3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone?
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 2.43, 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)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 63393139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).