1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one

C20H26N2O2 — CID 25450628

IUPAC1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C20H26N2O2/c1-21(15-17-7-3-2-4-8-17)18-9-5-13-22(16-18)20(23)12-11-19-10-6-14-24-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3/t18-/m0/s1
InChIKeyODFPIPDNZXUBGH-SFHVURJKSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds6

About 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 25450628) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID25450628
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C20H26N2O2/c1-21(15-17-7-3-2-4-8-17)18-9-5-13-22(16-18)20(23)12-11-19-10-6-14-24-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3/t18-/m0/s1
InChIKeyODFPIPDNZXUBGH-SFHVURJKSA-N
XLogP3.34
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one with MolForge

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Related Compounds

2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-propan-2-ylsulfanylethanone
CID 95716799
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 42300271
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25293575

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 25450628) is 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one is CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is ODFPIPDNZXUBGH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21(15-17-7-3-2-4-8-17)18-9-5-13-22(16-18)20(23)12-11-19-10-6-14-24-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 25450628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).