(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide

C13H21N3O2 — CID 108833346

IUPAC(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\N1CCCC(C)C1
InChIInChI=1S/C13H21N3O2/c1-11-4-3-6-16(9-11)10-12(8-14)13(17)15-5-7-18-2/h10-11H,3-7,9H2,1-2H3,(H,15,17)/b12-10-
InChIKeyGXXOJWCHWGREID-BENRWUELSA-N
MW251.33 g/mol
LogP0.89
Rot. Bonds5

About (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 108833346) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
PubChem CID108833346
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\N1CCCC(C)C1
InChIInChI=1S/C13H21N3O2/c1-11-4-3-6-16(9-11)10-12(8-14)13(17)15-5-7-18-2/h10-11H,3-7,9H2,1-2H3,(H,15,17)/b12-10-
InChIKeyGXXOJWCHWGREID-BENRWUELSA-N
XLogP0.89
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(azepan-1-yl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833330
(Z)-3-(3-methylpiperidin-1-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862307
(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108818082
4-[[(Z)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enoyl]amino]benzoic acid
CID 108823303
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108827776
(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 108836683
(Z)-N-(4-butylphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108828149
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
CID 108833486
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 98394768
N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 7463196
2-[[(Z)-2-cyano-3-(3-ethoxycarbonylpiperidin-1-yl)prop-2-enoyl]amino]acetic acid
CID 108844079

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide (CID 108833346) is (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide is COCCNC(=O)/C(C#N)=C\N1CCCC(C)C1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is GXXOJWCHWGREID-BENRWUELSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-4-3-6-16(9-11)10-12(8-14)13(17)15-5-7-18-2/h10-11H,3-7,9H2,1-2H3,(H,15,17)/b12-10-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108833346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).