(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C16H23NO5 — CID 110725274

IUPAC(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(OC)CC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-19-12-5-7-17(8-6-12)16(18)11-9-13(20-2)15(22-4)14(10-11)21-3/h9-10,12H,5-8H2,1-4H3
InChIKeyUSBDPUPUDUOPAP-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.96
Rot. Bonds5

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

(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110725274) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110725274
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(OC)CC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-19-12-5-7-17(8-6-12)16(18)11-9-13(20-2)15(22-4)14(10-11)21-3/h9-10,12H,5-8H2,1-4H3
InChIKeyUSBDPUPUDUOPAP-UHFFFAOYSA-N
XLogP1.96
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110725274) is (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(OC)CC2)cc(OC)c1OC.
What is the InChIKey of (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is USBDPUPUDUOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-19-12-5-7-17(8-6-12)16(18)11-9-13(20-2)15(22-4)14(10-11)21-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 309.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110725274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).