1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone

C15H24N2O2 — CID 97097423

IUPAC1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C)o1
InChIInChI=1S/C15H24N2O2/c1-4-13-10-17(12(3)18)8-7-15(13)16-9-14-6-5-11(2)19-14/h5-6,13,15-16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyHJCZNBJMQVWZJN-HIFRSBDPSA-N
MW264.37 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone

1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 97097423) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID97097423
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C)o1
InChIInChI=1S/C15H24N2O2/c1-4-13-10-17(12(3)18)8-7-15(13)16-9-14-6-5-11(2)19-14/h5-6,13,15-16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyHJCZNBJMQVWZJN-HIFRSBDPSA-N
XLogP2.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 71927456
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
CID 97097657
4-[[[(3R,4R)-1-acetyl-3-ethylpiperidin-4-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 97097305

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone (CID 97097423) is 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone is CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C)o1.
What is the InChIKey of 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is HJCZNBJMQVWZJN-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13-10-17(12(3)18)8-7-15(13)16-9-14-6-5-11(2)19-14/h5-6,13,15-16H,4,7-10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone?
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97097423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).