N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide

C24H30N2O4 — CID 108556529

IUPACN-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-3-30-21-11-9-18(17-22(21)29-2)10-12-23(27)25-20-13-15-26(16-14-20)24(28)19-7-5-4-6-8-19/h4-9,11,17,20H,3,10,12-16H2,1-2H3,(H,25,27)
InChIKeyOAZVJUJHMLXOEL-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.45
Rot. Bonds8

About N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide

N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 108556529) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID108556529
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-3-30-21-11-9-18(17-22(21)29-2)10-12-23(27)25-20-13-15-26(16-14-20)24(28)19-7-5-4-6-8-19/h4-9,11,17,20H,3,10,12-16H2,1-2H3,(H,25,27)
InChIKeyOAZVJUJHMLXOEL-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide (CID 108556529) is N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is OAZVJUJHMLXOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-30-21-11-9-18(17-22(21)29-2)10-12-23(27)25-20-13-15-26(16-14-20)24(28)19-7-5-4-6-8-19/h4-9,11,17,20H,3,10,12-16H2,1-2H3,(H,25,27).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide?
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 410.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 108556529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).