3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one

C11H19N3O — CID 91232765

IUPAC3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1c[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C11H19N3O/c1-8(2)10-7-13-11(15)14(10)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyMXTIZFLLDPFNHH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.22
Rot. Bonds2

About 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one

3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one (PubChem CID 91232765) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one
PubChem CID91232765
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1c[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C11H19N3O/c1-8(2)10-7-13-11(15)14(10)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyMXTIZFLLDPFNHH-UHFFFAOYSA-N
XLogP1.22
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
4-butyl-3-propyl-1H-imidazol-2-one
CID 23207465
4-butyl-3-pentyl-1H-imidazol-2-one
CID 23207466
4-Isopropyl-1-piperidin-4-yl-1,3-dihydro-2H-imidazol-2-one
CID 57979574
1-Propan-2-yl-3-(1-prop-1-en-2-ylpiperidin-4-yl)urea
CID 68267242
1-methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-imidazol-2-one hydrochloride
CID 68296721
1-Methyl-3-piperidin-4-ylimidazol-2-one
CID 68296722
2,7-Dimethyl-3,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one
CID 68368731
5-methyl-3-piperidin-4-yl-1H-imidazol-2-one
CID 68708473
5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one
CID 70961687

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one (CID 91232765) is 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one is CC(C)c1c[nH]c(=O)n1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one?
The InChIKey is MXTIZFLLDPFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10-7-13-11(15)14(10)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one?
3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 91232765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).