cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C21H29NO4 — CID 17454082

IUPACcyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C21H29NO4/c1-24-17-13-18(25-2)20(19(14-17)26-3)15-9-11-22(12-10-15)21(23)16-7-5-4-6-8-16/h9,13-14,16H,4-8,10-12H2,1-3H3
InChIKeyPWXCKEFNZJIOAS-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.91
Rot. Bonds5

About cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 17454082) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID17454082
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Namecyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C21H29NO4/c1-24-17-13-18(25-2)20(19(14-17)26-3)15-9-11-22(12-10-15)21(23)16-7-5-4-6-8-16/h9,13-14,16H,4-8,10-12H2,1-3H3
InChIKeyPWXCKEFNZJIOAS-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46678422
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281068
[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51934504
3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 46411075
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480
(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 24583945
(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264956
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 43046682
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 17454082) is cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)C3CCCCC3)CC2)c(OC)c1.
What is the InChIKey of cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is PWXCKEFNZJIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-24-17-13-18(25-2)20(19(14-17)26-3)15-9-11-22(12-10-15)21(23)16-7-5-4-6-8-16/h9,13-14,16H,4-8,10-12H2,1-3H3.
What are the key properties of cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 17454082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).