3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one

C13H19N5O2 — CID 79354269

IUPAC3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H19N5O2/c1-13(2)12(20)14-3-4-18(13)11(19)9-5-8-10(6-15-9)17-7-16-8/h7,9,15H,3-6H2,1-2H3,(H,14,20)(H,16,17)
InChIKeyRRCILRAQSFXONN-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.84
Rot. Bonds1

About 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one

3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one (PubChem CID 79354269) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one
PubChem CID79354269
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H19N5O2/c1-13(2)12(20)14-3-4-18(13)11(19)9-5-8-10(6-15-9)17-7-16-8/h7,9,15H,3-6H2,1-2H3,(H,14,20)(H,16,17)
InChIKeyRRCILRAQSFXONN-UHFFFAOYSA-N
XLogP-0.84
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one (CID 79354269) is 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one?
The InChIKey is RRCILRAQSFXONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2)12(20)14-3-4-18(13)11(19)9-5-8-10(6-15-9)17-7-16-8/h7,9,15H,3-6H2,1-2H3,(H,14,20)(H,16,17).
What are the key properties of 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one has a molecular weight of 277.33 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 79354269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).