furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone

C17H20N2O3 — CID 99832210

IUPACfuran-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2cccc(CO)c2)CC1
InChIInChI=1S/C17H20N2O3/c20-11-13-2-1-3-16(10-13)18-15-4-7-19(8-5-15)17(21)14-6-9-22-12-14/h1-3,6,9-10,12,15,18,20H,4-5,7-8,11H2
InChIKeyAFYVGTVUZLMBEO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds4

About furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone

furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone (PubChem CID 99832210) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
PubChem CID99832210
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namefuran-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2cccc(CO)c2)CC1
InChIInChI=1S/C17H20N2O3/c20-11-13-2-1-3-16(10-13)18-15-4-7-19(8-5-15)17(21)14-6-9-22-12-14/h1-3,6,9-10,12,15,18,20H,4-5,7-8,11H2
InChIKeyAFYVGTVUZLMBEO-UHFFFAOYSA-N
XLogP2.49
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 100693749
furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone
CID 100658157
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984
furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
CID 71998100
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone (CID 99832210) is furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(Nc2cccc(CO)c2)CC1.
What is the InChIKey of furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The InChIKey is AFYVGTVUZLMBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-13-2-1-3-16(10-13)18-15-4-7-19(8-5-15)17(21)14-6-9-22-12-14/h1-3,6,9-10,12,15,18,20H,4-5,7-8,11H2.
What are the key properties of furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 99832210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).