(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione

C15H23NO2 — CID 123149963

IUPAC(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione
SMILESCC=C/C(=C\CC(C)=O)CC(=O)N1CCCCC1
InChIInChI=1S/C15H23NO2/c1-3-7-14(9-8-13(2)17)12-15(18)16-10-5-4-6-11-16/h3,7,9H,4-6,8,10-12H2,1-2H3/b7-3?,14-9+
InChIKeyBBUKRQXZMPIDNP-FWJLCNRQSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds5

About (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione

(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione (PubChem CID 123149963) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione.

Molecular Properties

Compound Name(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione
PubChem CID123149963
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione
SMILESCC=C/C(=C\CC(C)=O)CC(=O)N1CCCCC1
InChIInChI=1S/C15H23NO2/c1-3-7-14(9-8-13(2)17)12-15(18)16-10-5-4-6-11-16/h3,7,9H,4-6,8,10-12H2,1-2H3/b7-3?,14-9+
InChIKeyBBUKRQXZMPIDNP-FWJLCNRQSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(azonan-1-yl)but-2-en-1-one
CID 174056806
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
CID 107899213
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
1-(azepan-1-yl)propan-1-one
CID 3613534
1-(azetidin-1-yl)-3-methylbut-3-en-1-one
CID 155738166
2-(ethylideneamino)-1-piperidin-1-ylethanone
CID 156723725
1-piperidin-1-ylhexane-1,3-dione
CID 101450737
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430

Frequently Asked Questions

What is the IUPAC name of (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione?
The IUPAC name of (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione (CID 123149963) is (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione.
What is the SMILES notation for (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione?
The canonical SMILES for (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione is CC=C/C(=C\CC(C)=O)CC(=O)N1CCCCC1.
What is the InChIKey of (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione?
The InChIKey is BBUKRQXZMPIDNP-FWJLCNRQSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-7-14(9-8-13(2)17)12-15(18)16-10-5-4-6-11-16/h3,7,9H,4-6,8,10-12H2,1-2H3/b7-3?,14-9+.
What are the key properties of (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione?
(Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione has a molecular weight of 249.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-piperidin-1-yl-3-prop-1-enylhept-3-ene-1,6-dione is sourced from PubChem (CID 123149963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).