(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone

C12H17ClN2O2 — CID 106688582

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2Cl)CCC1N
InChIInChI=1S/C12H17ClN2O2/c1-2-8-7-15(5-3-10(8)14)12(16)9-4-6-17-11(9)13/h4,6,8,10H,2-3,5,7,14H2,1H3
InChIKeyJHRFDUOSGWSIHE-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.13
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone (PubChem CID 106688582) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
PubChem CID106688582
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2Cl)CCC1N
InChIInChI=1S/C12H17ClN2O2/c1-2-8-7-15(5-3-10(8)14)12(16)9-4-6-17-11(9)13/h4,6,8,10H,2-3,5,7,14H2,1H3
InChIKeyJHRFDUOSGWSIHE-UHFFFAOYSA-N
XLogP2.13
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 106687317
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone (CID 106688582) is (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone is CCC1CN(C(=O)c2ccoc2Cl)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The InChIKey is JHRFDUOSGWSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-8-7-15(5-3-10(8)14)12(16)9-4-6-17-11(9)13/h4,6,8,10H,2-3,5,7,14H2,1H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone has a molecular weight of 256.73 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106688582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).