4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one

C12H21N3O — CID 84735534

IUPAC4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)Cc1[nH]c(=O)[nH]c1C1CCNCC1
InChIInChI=1S/C12H21N3O/c1-8(2)7-10-11(15-12(16)14-10)9-3-5-13-6-4-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyADVKQKGGAPFDRI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds3

About 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one

4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one (PubChem CID 84735534) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
PubChem CID84735534
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)Cc1[nH]c(=O)[nH]c1C1CCNCC1
InChIInChI=1S/C12H21N3O/c1-8(2)7-10-11(15-12(16)14-10)9-3-5-13-6-4-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyADVKQKGGAPFDRI-UHFFFAOYSA-N
XLogP1.37
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
CID 54339870
4-(2-methylpropyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105440261
5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione
CID 83867955
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
methyl 5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225155
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
CID 82395604
2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
CID 96597490
2-methylpropyl piperidine-4-sulfonate
CID 177194986
5-piperidin-4-yl-2H-triazole-4-carboxylic acid
CID 103123476
4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67113242
6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822470

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one (CID 84735534) is 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one is CC(C)Cc1[nH]c(=O)[nH]c1C1CCNCC1.
What is the InChIKey of 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one?
The InChIKey is ADVKQKGGAPFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-10-11(15-12(16)14-10)9-3-5-13-6-4-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one?
4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-piperidin-4-yl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84735534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).