(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C22H26N2O3 — CID 91781151

IUPAC(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESC=CCc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)ccc1OC
InChIInChI=1S/C22H26N2O3/c1-3-6-17-15-18(8-9-21(17)26-2)22(25)24-13-10-20(11-14-24)27-16-19-7-4-5-12-23-19/h3-5,7-9,12,15,20H,1,6,10-11,13-14,16H2,2H3
InChIKeyLKIPAXVXDITDDZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.64
Rot. Bonds7

About (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 91781151) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID91781151
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESC=CCc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)ccc1OC
InChIInChI=1S/C22H26N2O3/c1-3-6-17-15-18(8-9-21(17)26-2)22(25)24-13-10-20(11-14-24)27-16-19-7-4-5-12-23-19/h3-5,7-9,12,15,20H,1,6,10-11,13-14,16H2,2H3
InChIKeyLKIPAXVXDITDDZ-UHFFFAOYSA-N
XLogP3.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(4-methoxy-3-prop-2-enylbenzoyl)piperazine-1-carboxylate
CID 59727907
3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
[(3R,4R)-3-hydroxy-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133132232
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542506
[(4R)-4-(1H-indazol-4-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
CID 125009680
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70752110
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124987598
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 112836488

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 91781151) is (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is C=CCc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)ccc1OC.
What is the InChIKey of (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is LKIPAXVXDITDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-6-17-15-18(8-9-21(17)26-2)22(25)24-13-10-20(11-14-24)27-16-19-7-4-5-12-23-19/h3-5,7-9,12,15,20H,1,6,10-11,13-14,16H2,2H3.
What are the key properties of (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91781151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).