furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone

C19H24N2O3 — CID 99700469

IUPACfuran-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
SMILESCC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O
InChIInChI=1S/C19H24N2O3/c1-2-17(16-5-3-4-6-18(16)22)20-15-7-10-21(11-8-15)19(23)14-9-12-24-13-14/h3-6,9,12-13,15,17,20,22H,2,7-8,10-11H2,1H3/t17-/m0/s1
InChIKeySGLMEVTXHQATAM-KRWDZBQOSA-N
MW328.41 g/mol
LogP3.33
Rot. Bonds5

About furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone

furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone (PubChem CID 99700469) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
PubChem CID99700469
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namefuran-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
SMILESCC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O
InChIInChI=1S/C19H24N2O3/c1-2-17(16-5-3-4-6-18(16)22)20-15-7-10-21(11-8-15)19(23)14-9-12-24-13-14/h3-6,9,12-13,15,17,20,22H,2,7-8,10-11H2,1H3/t17-/m0/s1
InChIKeySGLMEVTXHQATAM-KRWDZBQOSA-N
XLogP3.33
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97081115
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone (CID 99700469) is furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone is CC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O.
What is the InChIKey of furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone?
The InChIKey is SGLMEVTXHQATAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-17(16-5-3-4-6-18(16)22)20-15-7-10-21(11-8-15)19(23)14-9-12-24-13-14/h3-6,9,12-13,15,17,20,22H,2,7-8,10-11H2,1H3/t17-/m0/s1.
What are the key properties of furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone?
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 99700469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).