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

C19H28N4O2 — CID 178116740

IUPAC1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)12-14-6-9-22(10-7-14)15-4-5-16(20-13-15)23-11-8-17(24)21-18(23)25/h4-5,13-14H,6-12H2,1-3H3,(H,21,24,25)
InChIKeyJKLMLQRUDHUYHK-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.18
Rot. Bonds3

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

1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione (PubChem CID 178116740) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
PubChem CID178116740
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)12-14-6-9-22(10-7-14)15-4-5-16(20-13-15)23-11-8-17(24)21-18(23)25/h4-5,13-14H,6-12H2,1-3H3,(H,21,24,25)
InChIKeyJKLMLQRUDHUYHK-UHFFFAOYSA-N
XLogP3.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116601
3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 168882371
1-(5-nitro-2-pyridinyl)-1,3-diazinane-2,4-dione
CID 166553476
2-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]ethyl 4-methylbenzenesulfonate
CID 167151390
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
CID 166948250
tert-butyl 4-[[(3R)-1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]pyrrolidin-3-yl]methyl]piperazine-1-carboxylate
CID 171774159
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
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112693

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione (CID 178116740) is 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione is CC(C)(C)CC1CCN(c2ccc(N3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
The InChIKey is JKLMLQRUDHUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)12-14-6-9-22(10-7-14)15-4-5-16(20-13-15)23-11-8-17(24)21-18(23)25/h4-5,13-14H,6-12H2,1-3H3,(H,21,24,25).
What are the key properties of 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione?
1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione has a molecular weight of 344.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178116740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).