N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C17H26N2O3 — CID 649004

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)
InChIKeyJDSOCLFZVCMCRY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.76
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 649004) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID649004
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)
InChIKeyJDSOCLFZVCMCRY-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 649004) is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is JDSOCLFZVCMCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 649004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).