(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide

C26H35N3O2 — CID 42199295

IUPAC(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)/C=C/c2ccncc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21(2)18-29(26(30)9-8-22-10-14-27-15-11-22)19-23-12-16-28(17-13-23)20-24-6-4-5-7-25(24)31-3/h4-11,14-15,21,23H,12-13,16-20H2,1-3H3/b9-8+
InChIKeyVGWKJEYTGWDHCJ-CMDGGOBGSA-N
MW421.59 g/mol
LogP4.50
Rot. Bonds9

About (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 42199295) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID42199295
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)/C=C/c2ccncc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21(2)18-29(26(30)9-8-22-10-14-27-15-11-22)19-23-12-16-28(17-13-23)20-24-6-4-5-7-25(24)31-3/h4-11,14-15,21,23H,12-13,16-20H2,1-3H3/b9-8+
InChIKeyVGWKJEYTGWDHCJ-CMDGGOBGSA-N
XLogP4.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72865460
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 42522390
(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 42522718
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 45173004
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 25451247
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine
CID 25374699
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide (CID 42199295) is (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide is COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)/C=C/c2ccncc2)CC1.
What is the InChIKey of (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is VGWKJEYTGWDHCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21(2)18-29(26(30)9-8-22-10-14-27-15-11-22)19-23-12-16-28(17-13-23)20-24-6-4-5-7-25(24)31-3/h4-11,14-15,21,23H,12-13,16-20H2,1-3H3/b9-8+.
What are the key properties of (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 421.59 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 42199295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).