3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide

C24H29N3O4 — CID 55553963

IUPAC3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-3-31-21-11-7-17(15-22(21)30-2)8-12-23(28)26-19-16-18(24(25)29)9-10-20(19)27-13-5-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyHVHRBMVHJQFHHI-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.84
Rot. Bonds8

About 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide

3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 55553963) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
PubChem CID55553963
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-3-31-21-11-7-17(15-22(21)30-2)8-12-23(28)26-19-16-18(24(25)29)9-10-20(19)27-13-5-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyHVHRBMVHJQFHHI-UHFFFAOYSA-N
XLogP3.84
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614091
3-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
CID 55554073
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(5-bromo-2-morpholin-4-ylphenyl)prop-2-enamide
CID 55432822
(E)-N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 43913692
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
methyl 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 35249748
4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid
CID 45383023
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide (CID 55553963) is 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide is CCOc1ccc(C=CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1OC.
What is the InChIKey of 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is HVHRBMVHJQFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-31-21-11-7-17(15-22(21)30-2)8-12-23(28)26-19-16-18(24(25)29)9-10-20(19)27-13-5-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide?
3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 423.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 55553963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).