(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

C16H26N2O2 — CID 79095324

IUPAC(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(CNC(C)C)C2)o1
InChIInChI=1S/C16H26N2O2/c1-4-14-7-8-15(20-14)16(19)18-9-5-6-13(11-18)10-17-12(2)3/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyLVJBIBSHRWPJQJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds5

About (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 79095324) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID79095324
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(CNC(C)C)C2)o1
InChIInChI=1S/C16H26N2O2/c1-4-14-7-8-15(20-14)16(19)18-9-5-6-13(11-18)10-17-12(2)3/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyLVJBIBSHRWPJQJ-UHFFFAOYSA-N
XLogP2.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796215
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (CID 79095324) is (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC(CNC(C)C)C2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is LVJBIBSHRWPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14-7-8-15(20-14)16(19)18-9-5-6-13(11-18)10-17-12(2)3/h7-8,12-13,17H,4-6,9-11H2,1-3H3.
What are the key properties of (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 79095324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).