3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C18H21NO2 — CID 2964472

IUPAC3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2
InChIKeySSKDKRHXRZLDMY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds4

About 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one

3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 2964472) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID2964472
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2
InChIKeySSKDKRHXRZLDMY-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+/-)-threo-N-(3-Methylfuran)methylphenidate
CID 52942853
Methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzoate
CID 44349519
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2324886
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800
N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
CID 3781827
1-(4-Pentoxyphenyl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 9208868
[1-(3-Furoyl)-3-piperidinyl](3-isopropoxyphenyl)methanone
CID 16189901
(3-Methoxyphenyl)(1-pent-4-enoylpiperidin-3-yl)methanone
CID 23723313
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
3-(3-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9794960
6-[4-(4-Fluorobenzoyl)piperidinomethyl]-6,7-dihydrobenzofuran-4(5H)-one
CID 10338282

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 2964472) is 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1ccco1)N1CCCCC1.
What is the InChIKey of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is SSKDKRHXRZLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2.
What are the key properties of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2964472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).