1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione

C18H26N4O2 — CID 178116601

IUPAC1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
SMILESCC(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C18H26N4O2/c1-13(2)11-14-5-8-21(9-6-14)15-3-4-16(19-12-15)22-10-7-17(23)20-18(22)24/h3-4,12-14H,5-11H2,1-2H3,(H,20,23,24)
InChIKeyFZXGGGGFOSDEDZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.79
Rot. Bonds4

About 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione

1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione (PubChem CID 178116601) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
PubChem CID178116601
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
SMILESCC(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C18H26N4O2/c1-13(2)11-14-5-8-21(9-6-14)15-3-4-16(19-12-15)22-10-7-17(23)20-18(22)24/h3-4,12-14H,5-11H2,1-2H3,(H,20,23,24)
InChIKeyFZXGGGGFOSDEDZ-UHFFFAOYSA-N
XLogP2.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116740
3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 168882371
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
6-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridin-3-amine
CID 174705395
1-(5-nitro-2-pyridinyl)-1,3-diazinane-2,4-dione
CID 166553476
1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
CID 166948250
1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
CID 177356043
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
1-(4-chlorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64961189
1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170163995
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 168882205

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione (CID 178116601) is 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione is CC(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The InChIKey is FZXGGGGFOSDEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)11-14-5-8-21(9-6-14)15-3-4-16(19-12-15)22-10-7-17(23)20-18(22)24/h3-4,12-14H,5-11H2,1-2H3,(H,20,23,24).
What are the key properties of 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178116601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).