3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide

C25H32N2O4 — CID 108556522

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C(=O)c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C25H32N2O4/c1-4-31-22-10-8-19(17-23(22)30-3)9-11-24(28)26-21-12-14-27(15-13-21)25(29)20-7-5-6-18(2)16-20/h5-8,10,16-17,21H,4,9,11-15H2,1-3H3,(H,26,28)
InChIKeyPFFDQFGGUGKMHE-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.76
Rot. Bonds8

About 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide (PubChem CID 108556522) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
PubChem CID108556522
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C(=O)c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C25H32N2O4/c1-4-31-22-10-8-19(17-23(22)30-3)9-11-24(28)26-21-12-14-27(15-13-21)25(29)20-7-5-6-18(2)16-20/h5-8,10,16-17,21H,4,9,11-15H2,1-3H3,(H,26,28)
InChIKeyPFFDQFGGUGKMHE-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
ethyl [4-[4-[3-(3-methylphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930457
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
3-(3,4-dimethoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 38462463

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide (CID 108556522) is 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide is CCOc1ccc(CCC(=O)NC2CCN(C(=O)c3cccc(C)c3)CC2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide?
The InChIKey is PFFDQFGGUGKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-31-22-10-8-19(17-23(22)30-3)9-11-24(28)26-21-12-14-27(15-13-21)25(29)20-7-5-6-18(2)16-20/h5-8,10,16-17,21H,4,9,11-15H2,1-3H3,(H,26,28).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108556522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).