(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide

C21H32N2O3 — CID 60568930

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)(C)N2CCCC(C)C2)cc(OC)c1
InChIInChI=1S/C21H32N2O3/c1-16-7-6-10-23(14-16)21(2,3)15-22-20(24)9-8-17-11-18(25-4)13-19(12-17)26-5/h8-9,11-13,16H,6-7,10,14-15H2,1-5H3,(H,22,24)/b9-8+
InChIKeyLJNVAELJGIPLHG-CMDGGOBGSA-N
MW360.50 g/mol
LogP3.34
Rot. Bonds7

About (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide (PubChem CID 60568930) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
PubChem CID60568930
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)(C)N2CCCC(C)C2)cc(OC)c1
InChIInChI=1S/C21H32N2O3/c1-16-7-6-10-23(14-16)21(2,3)15-22-20(24)9-8-17-11-18(25-4)13-19(12-17)26-5/h8-9,11-13,16H,6-7,10,14-15H2,1-5H3,(H,22,24)/b9-8+
InChIKeyLJNVAELJGIPLHG-CMDGGOBGSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 76869053
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 97023558
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064123
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 34767039
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 8547339
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 119863623
5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 120645327

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide (CID 60568930) is (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide is COc1cc(/C=C/C(=O)NCC(C)(C)N2CCCC(C)C2)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide?
The InChIKey is LJNVAELJGIPLHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16-7-6-10-23(14-16)21(2,3)15-22-20(24)9-8-17-11-18(25-4)13-19(12-17)26-5/h8-9,11-13,16H,6-7,10,14-15H2,1-5H3,(H,22,24)/b9-8+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide has a molecular weight of 360.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 60568930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).