(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide

C14H26N2O — CID 59075638

IUPAC(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide
SMILESCNC(=O)C(/C=C/C(C)C)N1CCCC[C@H]1C
InChIInChI=1S/C14H26N2O/c1-11(2)8-9-13(14(17)15-4)16-10-6-5-7-12(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,15,17)/b9-8+/t12-,13?/m1/s1
InChIKeyZDZRZAHOTWHTCT-KAWPKLPBSA-N
MW238.38 g/mol
LogP2.19
Rot. Bonds4

About (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide

(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide (PubChem CID 59075638) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide.

Molecular Properties

Compound Name(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide
PubChem CID59075638
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide
SMILESCNC(=O)C(/C=C/C(C)C)N1CCCC[C@H]1C
InChIInChI=1S/C14H26N2O/c1-11(2)8-9-13(14(17)15-4)16-10-6-5-7-12(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,15,17)/b9-8+/t12-,13?/m1/s1
InChIKeyZDZRZAHOTWHTCT-KAWPKLPBSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide 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

(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 72052087
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
CID 96740616
(E)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 97540193
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 164632195
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
N-methyl-2-piperazin-1-ylbut-3-enamide
CID 176431723
1-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}piperazine
CID 56872505

Frequently Asked Questions

What is the IUPAC name of (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide?
The IUPAC name of (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide (CID 59075638) is (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide.
What is the SMILES notation for (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide?
The canonical SMILES for (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide is CNC(=O)C(/C=C/C(C)C)N1CCCC[C@H]1C.
What is the InChIKey of (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide?
The InChIKey is ZDZRZAHOTWHTCT-KAWPKLPBSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)8-9-13(14(17)15-4)16-10-6-5-7-12(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,15,17)/b9-8+/t12-,13?/m1/s1.
What are the key properties of (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide?
(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide has a molecular weight of 238.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide is sourced from PubChem (CID 59075638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).