1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C14H22N4O3 — CID 7336034

IUPAC1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCN2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C14H22N4O3/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-6-9-18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3/b15-10+
InChIKeyKXESLWIKBDSCDA-XNTDXEJSSA-N
MW294.36 g/mol
LogP0.21
Rot. Bonds4

About 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7336034) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7336034
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCN2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C14H22N4O3/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-6-9-18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3/b15-10+
InChIKeyKXESLWIKBDSCDA-XNTDXEJSSA-N
XLogP0.21
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
2,6-Diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
CID 57103098
(5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996805
(5R)-1-butyl-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996806
1,3-Dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6997408
(5S)-1-ethyl-5-(2-piperidin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6997544
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7000999
2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneazaniumyl]ethyl-diethylazanium
CID 7023460
(5R)-1-butyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7023461
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
1,3-Dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029525
5-(Hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029622

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7336034) is 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/CCN2CCCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is KXESLWIKBDSCDA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-6-9-18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3/b15-10+.
What are the key properties of 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 294.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7336034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).