1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C16H24N4O3 — CID 99841220

IUPAC1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCN2CCCCC2)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-8-18-14(21)19(9-4-2)16(23)20(15(18)22)13-12-17-10-6-5-7-11-17/h3-4H,1-2,5-13H2
InChIKeyHJNMTLGYPXUCRX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.03
Rot. Bonds7

About 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 99841220) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID99841220
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCN2CCCCC2)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-8-18-14(21)19(9-4-2)16(23)20(15(18)22)13-12-17-10-6-5-7-11-17/h3-4H,1-2,5-13H2
InChIKeyHJNMTLGYPXUCRX-UHFFFAOYSA-N
XLogP0.03
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 99841220) is 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCN2CCCCC2)c1=O.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HJNMTLGYPXUCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-8-18-14(21)19(9-4-2)16(23)20(15(18)22)13-12-17-10-6-5-7-11-17/h3-4H,1-2,5-13H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 320.39 g/mol, XLogP of 0.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 99841220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).