3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one

C21H24N2O2 — CID 4147644

IUPAC3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1OCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C21H24N2O2/c24-20(19-8-6-12-22-17-19)11-10-18-7-2-3-9-21(18)25-16-15-23-13-4-1-5-14-23/h2-3,6-12,17H,1,4-5,13-16H2
InChIKeyFPSDEAYDNMNMJQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.84
Rot. Bonds7

About 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one

3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 4147644) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
PubChem CID4147644
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1OCCN1CCCCC1)c1cccnc1
InChIInChI=1S/C21H24N2O2/c24-20(19-8-6-12-22-17-19)11-10-18-7-2-3-9-21(18)25-16-15-23-13-4-1-5-14-23/h2-3,6-12,17H,1,4-5,13-16H2
InChIKeyFPSDEAYDNMNMJQ-UHFFFAOYSA-N
XLogP3.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102804
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
CID 71435080
5-[2-[2-[2-(azepan-1-yl)ethoxy]phenyl]ethenyl]-3-methyl-1,2,4-oxadiazole
CID 3448170
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one (CID 4147644) is 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one is O=C(C=Cc1ccccc1OCCN1CCCCC1)c1cccnc1.
What is the InChIKey of 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is FPSDEAYDNMNMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(19-8-6-12-22-17-19)11-10-18-7-2-3-9-21(18)25-16-15-23-13-4-1-5-14-23/h2-3,6-12,17H,1,4-5,13-16H2.
What are the key properties of 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 336.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 4147644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).