(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone

C20H30N2O2 — CID 155741926

IUPAC(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone
SMILESC=CC1=C(C=C)CN(C(=O)/C(OC)=C2\CNCCC2CCC)CC1
InChIInChI=1S/C20H30N2O2/c1-5-8-17-9-11-21-13-18(17)19(24-4)20(23)22-12-10-15(6-2)16(7-3)14-22/h6-7,17,21H,2-3,5,8-14H2,1,4H3/b19-18-
InChIKeyXDJIEXHJKZHLDX-HNENSFHCSA-N
MW330.47 g/mol
LogP3.20
Rot. Bonds6

About (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone

(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone (PubChem CID 155741926) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone
PubChem CID155741926
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone
SMILESC=CC1=C(C=C)CN(C(=O)/C(OC)=C2\CNCCC2CCC)CC1
InChIInChI=1S/C20H30N2O2/c1-5-8-17-9-11-21-13-18(17)19(24-4)20(23)22-12-10-15(6-2)16(7-3)14-22/h6-7,17,21H,2-3,5,8-14H2,1,4H3/b19-18-
InChIKeyXDJIEXHJKZHLDX-HNENSFHCSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone?
The IUPAC name of (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone (CID 155741926) is (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone.
What is the SMILES notation for (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone?
The canonical SMILES for (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone is C=CC1=C(C=C)CN(C(=O)/C(OC)=C2\CNCCC2CCC)CC1.
What is the InChIKey of (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone?
The InChIKey is XDJIEXHJKZHLDX-HNENSFHCSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-8-17-9-11-21-13-18(17)19(24-4)20(23)22-12-10-15(6-2)16(7-3)14-22/h6-7,17,21H,2-3,5,8-14H2,1,4H3/b19-18-.
What are the key properties of (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone?
(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone has a molecular weight of 330.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone is sourced from PubChem (CID 155741926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).