(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H24N2O5 — CID 90565963

IUPAC(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-9-6-15(7-10-22)27-16-5-4-8-21-13-16/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3
InChIKeyAPHGRIFEECALPB-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.79
Rot. Bonds6

About (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 90565963) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID90565963
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-9-6-15(7-10-22)27-16-5-4-8-21-13-16/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3
InChIKeyAPHGRIFEECALPB-UHFFFAOYSA-N
XLogP2.79
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4,5-dimethoxy-2-nitrophenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566046
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(E)-3-(3,4-dimethoxyphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)prop-2-en-1-one
CID 90565992
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 90565963) is (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)cc(OC)c1OC.
What is the InChIKey of (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is APHGRIFEECALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-9-6-15(7-10-22)27-16-5-4-8-21-13-16/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3.
What are the key properties of (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 372.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90565963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).