(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane

C18H30N2O — CID 177062047

IUPAC(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane
SMILESCC.CC.CCN1CCC(/C(N)=C2\C=C=C=CC2=O)CC1
InChIInChI=1S/C14H18N2O.2C2H6/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17;2*1-2/h5-6,11H,2,7-10,15H2,1H3;2*1-2H3/b14-12-;;
InChIKeyIWJVUSZPOICETM-NEKXZPCZSA-N
MW290.45 g/mol
LogP3.43
Rot. Bonds2

About (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane

(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane (PubChem CID 177062047) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane.

Molecular Properties

Compound Name(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane
PubChem CID177062047
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane
SMILESCC.CC.CCN1CCC(/C(N)=C2\C=C=C=CC2=O)CC1
InChIInChI=1S/C14H18N2O.2C2H6/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17;2*1-2/h5-6,11H,2,7-10,15H2,1H3;2*1-2H3/b14-12-;;
InChIKeyIWJVUSZPOICETM-NEKXZPCZSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
CID 134868292
(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
CID 129066262
2-Methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
CID 171475026
2-Methyl-6-(piperidin-4-YL)pyridin-4-OL
CID 66509653
2,6-Dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one
CID 79884494
2-methyl-6-(1-methylpiperidin-4-yl)-1H-pyridin-4-one
CID 95841104
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one
CID 177062048

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane?
The IUPAC name of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane (CID 177062047) is (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane.
What is the SMILES notation for (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane?
The canonical SMILES for (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane is CC.CC.CCN1CCC(/C(N)=C2\C=C=C=CC2=O)CC1.
What is the InChIKey of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane?
The InChIKey is IWJVUSZPOICETM-NEKXZPCZSA-N. The full InChI is InChI=1S/C14H18N2O.2C2H6/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17;2*1-2/h5-6,11H,2,7-10,15H2,1H3;2*1-2H3/b14-12-;;.
What are the key properties of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane?
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane has a molecular weight of 290.45 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane is sourced from PubChem (CID 177062047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).