1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide

C18H26N2O3 — CID 110769371

IUPAC1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1c(C)cc(CC(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C18H26N2O3/c1-11-9-15(12(2)13(3)17(11)23-4)10-16(21)20-7-5-14(6-8-20)18(19)22/h9,14H,5-8,10H2,1-4H3,(H2,19,22)
InChIKeyYSVOLTQDLQWEQZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide

1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 110769371) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID110769371
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1c(C)cc(CC(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C18H26N2O3/c1-11-9-15(12(2)13(3)17(11)23-4)10-16(21)20-7-5-14(6-8-20)18(19)22/h9,14H,5-8,10H2,1-4H3,(H2,19,22)
InChIKeyYSVOLTQDLQWEQZ-UHFFFAOYSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 110800548
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769588
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110800533
2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110769302
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide (CID 110769371) is 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide is COc1c(C)cc(CC(=O)N2CCC(C(N)=O)CC2)c(C)c1C.
What is the InChIKey of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is YSVOLTQDLQWEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11-9-15(12(2)13(3)17(11)23-4)10-16(21)20-7-5-14(6-8-20)18(19)22/h9,14H,5-8,10H2,1-4H3,(H2,19,22).
What are the key properties of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide?
1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).