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

C14H18N2O — CID 177062048

IUPAC(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one
SMILESCCN1CCC(/C(N)=C2\C=C=C=CC2=O)CC1
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17/h5-6,11H,2,7-10,15H2,1H3/b14-12-
InChIKeyDQVGWXTXTSCATC-OWBHPGMISA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds2

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

(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one (PubChem CID 177062048) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one.

Molecular Properties

Compound Name(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one
PubChem CID177062048
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one
SMILESCCN1CCC(/C(N)=C2\C=C=C=CC2=O)CC1
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17/h5-6,11H,2,7-10,15H2,1H3/b14-12-
InChIKeyDQVGWXTXTSCATC-OWBHPGMISA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one with MolForge

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Related Compounds

(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one
CID 166483302
2-Methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
CID 171475026
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane
CID 177062047
2-Methyl-6-(piperidin-4-YL)pyridin-4-OL
CID 66509653
2-Methyl-6-(piperidin-4-yl)pyridin-4-ol hydrochloride
CID 71298765
2,6-Dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one
CID 79884494
2-methyl-6-[(3R)-1-methylpiperidin-3-yl]-1H-pyridin-4-one
CID 95841102
2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-1H-pyridin-4-one
CID 95841103
2-methyl-6-(1-methylpiperidin-4-yl)-1H-pyridin-4-one
CID 95841104
2-methyl-6-(1-methylpiperidin-3-yl)-1H-pyridin-4-one
CID 110269144

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one?
The IUPAC name of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one (CID 177062048) is (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one.
What is the SMILES notation for (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one?
The canonical SMILES for (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one is 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?
The InChIKey is DQVGWXTXTSCATC-OWBHPGMISA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16-9-7-11(8-10-16)14(15)12-5-3-4-6-13(12)17/h5-6,11H,2,7-10,15H2,1H3/b14-12-.
What are the key properties of (6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one?
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one has a molecular weight of 230.31 g/mol, XLogP of 1.38, 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 is sourced from PubChem (CID 177062048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).