(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone

C22H32N2O5 — CID 55949816

IUPAC(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1cc(OC)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC
InChIInChI=1S/C22H32N2O5/c1-15-5-9-23(10-6-15)21(25)16-7-11-24(12-8-16)22(26)17-13-19(28-3)20(29-4)14-18(17)27-2/h13-16H,5-12H2,1-4H3
InChIKeyCIQSQXPYPCPIKV-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.82
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 55949816) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
PubChem CID55949816
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1cc(OC)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC
InChIInChI=1S/C22H32N2O5/c1-15-5-9-23(10-6-15)21(25)16-7-11-24(12-8-16)22(26)17-13-19(28-3)20(29-4)14-18(17)27-2/h13-16H,5-12H2,1-4H3
InChIKeyCIQSQXPYPCPIKV-UHFFFAOYSA-N
XLogP2.82
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[1-(4,5-dimethoxy-2-nitrobenzoyl)piperidin-4-yl]methanone
CID 31610743
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950584
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[3-(chloromethyl)pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 63395861
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566537
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone (CID 55949816) is (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone is COc1cc(OC)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is CIQSQXPYPCPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-15-5-9-23(10-6-15)21(25)16-7-11-24(12-8-16)22(26)17-13-19(28-3)20(29-4)14-18(17)27-2/h13-16H,5-12H2,1-4H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55949816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).