(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C13H19ClN2O2 — CID 80551638

IUPAC(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C13H19ClN2O2/c1-2-15-9-10-5-7-16(8-6-10)13(17)11-3-4-12(14)18-11/h3-4,10,15H,2,5-9H2,1H3
InChIKeyQYGNREMEEGKCQM-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.39
Rot. Bonds4

About (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 80551638) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID80551638
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C13H19ClN2O2/c1-2-15-9-10-5-7-16(8-6-10)13(17)11-3-4-12(14)18-11/h3-4,10,15H,2,5-9H2,1H3
InChIKeyQYGNREMEEGKCQM-UHFFFAOYSA-N
XLogP2.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 80551638) is (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is QYGNREMEEGKCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-15-9-10-5-7-16(8-6-10)13(17)11-3-4-12(14)18-11/h3-4,10,15H,2,5-9H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 270.76 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80551638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).