(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal

C21H26N2O3 — CID 137384851

IUPAC(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal
SMILESC=C(/C=C\C=N\C(=C/C=O)c1ccc(OC)c(OC)c1)C1CCCNC1
InChIInChI=1S/C21H26N2O3/c1-16(18-7-5-11-22-15-18)6-4-12-23-19(10-13-24)17-8-9-20(25-2)21(14-17)26-3/h4,6,8-10,12-14,18,22H,1,5,7,11,15H2,2-3H3/b6-4-,19-10-,23-12+
InChIKeyGBPBCIQTWSYRGD-CQEVDQQNSA-N
MW354.45 g/mol
LogP3.43
Rot. Bonds8

About (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal

(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal (PubChem CID 137384851) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal
PubChem CID137384851
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal
SMILESC=C(/C=C\C=N\C(=C/C=O)c1ccc(OC)c(OC)c1)C1CCCNC1
InChIInChI=1S/C21H26N2O3/c1-16(18-7-5-11-22-15-18)6-4-12-23-19(10-13-24)17-8-9-20(25-2)21(14-17)26-3/h4,6,8-10,12-14,18,22H,1,5,7,11,15H2,2-3H3/b6-4-,19-10-,23-12+
InChIKeyGBPBCIQTWSYRGD-CQEVDQQNSA-N
XLogP3.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal 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

(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-(4-methylpiperidin-1-yl)penta-2,4-dienylidene]amino]prop-2-enal
CID 137385038
(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-(1,2,3,6-tetrahydropyridin-5-yl)penta-2,4-dienylidene]amino]prop-2-enal
CID 137385034
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
CID 14347231
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
(Z)-3-bromo-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 167435362
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal?
The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal (CID 137384851) is (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal.
What is the SMILES notation for (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal?
The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal is C=C(/C=C\C=N\C(=C/C=O)c1ccc(OC)c(OC)c1)C1CCCNC1.
What is the InChIKey of (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal?
The InChIKey is GBPBCIQTWSYRGD-CQEVDQQNSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(18-7-5-11-22-15-18)6-4-12-23-19(10-13-24)17-8-9-20(25-2)21(14-17)26-3/h4,6,8-10,12-14,18,22H,1,5,7,11,15H2,2-3H3/b6-4-,19-10-,23-12+.
What are the key properties of (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal?
(Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal has a molecular weight of 354.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dimethoxyphenyl)-3-[[(2Z)-4-piperidin-3-ylpenta-2,4-dienylidene]amino]prop-2-enal is sourced from PubChem (CID 137384851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).