(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide

C18H22ClN3O2 — CID 108827780

IUPAC(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide
SMILESCCC1CCCCN1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H22ClN3O2/c1-3-15-6-4-5-9-22(15)12-13(11-20)18(23)21-16-10-14(19)7-8-17(16)24-2/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,21,23)/b13-12-
InChIKeyBUGMGOMBSHXDFQ-SEYXRHQNSA-N
MW347.85 g/mol
LogP3.96
Rot. Bonds5

About (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide

(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide (PubChem CID 108827780) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide
PubChem CID108827780
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide
SMILESCCC1CCCCN1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H22ClN3O2/c1-3-15-6-4-5-9-22(15)12-13(11-20)18(23)21-16-10-14(19)7-8-17(16)24-2/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,21,23)/b13-12-
InChIKeyBUGMGOMBSHXDFQ-SEYXRHQNSA-N
XLogP3.96
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828522
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108827776
(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
CID 108821214
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108827733
(Z)-3-(2-chloroethylamino)-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108827711
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108815115
(Z)-N-(2-chlorophenyl)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108824569
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108827621
ethyl 1-[(Z)-2-cyano-3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]piperidine-3-carboxylate
CID 108858243
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]prop-2-enamide
CID 108827811
ethyl 1-[(Z)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]piperidine-4-carboxylate
CID 108825411
ethyl 1-[(Z)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-3-carboxylate
CID 108850047

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide (CID 108827780) is (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide is CCC1CCCCN1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is BUGMGOMBSHXDFQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-15-6-4-5-9-22(15)12-13(11-20)18(23)21-16-10-14(19)7-8-17(16)24-2/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,21,23)/b13-12-.
What are the key properties of (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide?
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 347.85 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-ethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).