(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide

C15H25N3O — CID 108832952

IUPAC(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CNC(=O)/C(C#N)=C\N1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)7-17-15(19)14(6-16)10-18-8-12(3)5-13(4)9-18/h10-13H,5,7-9H2,1-4H3,(H,17,19)/b14-10-
InChIKeyGXIPSVNPYIJUJF-UVTDQMKNSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds4

About (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide

(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 108832952) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID108832952
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CNC(=O)/C(C#N)=C\N1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)7-17-15(19)14(6-16)10-18-8-12(3)5-13(4)9-18/h10-13H,5,7-9H2,1-4H3,(H,17,19)/b14-10-
InChIKeyGXIPSVNPYIJUJF-UVTDQMKNSA-N
XLogP2.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(azepan-1-yl)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832957
(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108842221
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863394
(Z)-3-(3,5-dimethylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843695
(Z)-N-(2-chloroethyl)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108854394
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853010
(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide
CID 108833030
(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108833346
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832908
(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108833590
(Z)-2-cyano-3-(2-hydroxypropylamino)-N-(2-methylpropyl)prop-2-enamide
CID 108832958
N-[(Z)-2-cyano-3-(2-methylpropylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108833086

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide (CID 108832952) is (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide is CC(C)CNC(=O)/C(C#N)=C\N1CC(C)CC(C)C1.
What is the InChIKey of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is GXIPSVNPYIJUJF-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)7-17-15(19)14(6-16)10-18-8-12(3)5-13(4)9-18/h10-13H,5,7-9H2,1-4H3,(H,17,19)/b14-10-.
What are the key properties of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide?
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 108832952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).