cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

C17H26N2O3 — CID 97097433

IUPACcyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1
InChIInChI=1S/C17H26N2O3/c1-2-12-10-19(17(21)13-3-4-13)8-7-16(12)18-9-14-5-6-15(11-20)22-14/h5-6,12-13,16,18,20H,2-4,7-11H2,1H3/t12-,16-/m1/s1
InChIKeyZPQHQDKSVZIFJN-MLGOLLRUSA-N
MW306.41 g/mol
LogP1.90
Rot. Bonds6

About cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (PubChem CID 97097433) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
PubChem CID97097433
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namecyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1
InChIInChI=1S/C17H26N2O3/c1-2-12-10-19(17(21)13-3-4-13)8-7-16(12)18-9-14-5-6-15(11-20)22-14/h5-6,12-13,16,18,20H,2-4,7-11H2,1H3/t12-,16-/m1/s1
InChIKeyZPQHQDKSVZIFJN-MLGOLLRUSA-N
XLogP1.90
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone 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
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97097463
[(3S,4S)-4-(2H-chromen-3-ylmethylamino)-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97026862

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (CID 97097433) is cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1.
What is the InChIKey of cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The InChIKey is ZPQHQDKSVZIFJN-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-12-10-19(17(21)13-3-4-13)8-7-16(12)18-9-14-5-6-15(11-20)22-14/h5-6,12-13,16,18,20H,2-4,7-11H2,1H3/t12-,16-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 97097433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).