N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide

C18H26N2O4 — CID 51203874

IUPACN-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(C)=O)CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-13(21)20-10-8-15(9-11-20)19-18(22)7-5-14-4-6-16(23-2)17(12-14)24-3/h4,6,12,15H,5,7-11H2,1-3H3,(H,19,22)
InChIKeyQVARFYDLJSXISQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.76
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide

N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 51203874) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID51203874
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(C)=O)CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-13(21)20-10-8-15(9-11-20)19-18(22)7-5-14-4-6-16(23-2)17(12-14)24-3/h4,6,12,15H,5,7-11H2,1-3H3,(H,19,22)
InChIKeyQVARFYDLJSXISQ-UHFFFAOYSA-N
XLogP1.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
tert-butyl N-[2-[4-[3-(3,4-dimethoxyphenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108556444
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide (CID 51203874) is N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCN(C(C)=O)CC2)cc1OC.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is QVARFYDLJSXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(21)20-10-8-15(9-11-20)19-18(22)7-5-14-4-6-16(23-2)17(12-14)24-3/h4,6,12,15H,5,7-11H2,1-3H3,(H,19,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).