N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide

C23H32N2O4 — CID 57209271

IUPACN-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(CC(O)c2ccc(C)o2)OC)CC1
InChIInChI=1S/C23H32N2O4/c1-4-22(27)25(18-8-6-5-7-9-18)19-12-14-24(15-13-19)23(28-3)16-20(26)21-11-10-17(2)29-21/h5-11,19-20,23,26H,4,12-16H2,1-3H3
InChIKeyYYDJETATDRFWDJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.89
Rot. Bonds8

About N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 57209271) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID57209271
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(CC(O)c2ccc(C)o2)OC)CC1
InChIInChI=1S/C23H32N2O4/c1-4-22(27)25(18-8-6-5-7-9-18)19-12-14-24(15-13-19)23(28-3)16-20(26)21-11-10-17(2)29-21/h5-11,19-20,23,26H,4,12-16H2,1-3H3
InChIKeyYYDJETATDRFWDJ-UHFFFAOYSA-N
XLogP3.89
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide (CID 57209271) is N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C(CC(O)c2ccc(C)o2)OC)CC1.
What is the InChIKey of N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is YYDJETATDRFWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-4-22(27)25(18-8-6-5-7-9-18)19-12-14-24(15-13-19)23(28-3)16-20(26)21-11-10-17(2)29-21/h5-11,19-20,23,26H,4,12-16H2,1-3H3.
What are the key properties of N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 400.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 57209271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).