4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one

C9H15N3O — CID 84732395

IUPAC4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CC2CCCCN2)[nH]1
InChIInChI=1S/C9H15N3O/c13-9-11-6-8(12-9)5-7-3-1-2-4-10-7/h6-7,10H,1-5H2,(H2,11,12,13)
InChIKeyRNTLBAWSYWYPTJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.39
Rot. Bonds2

About 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one

4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one (PubChem CID 84732395) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one
PubChem CID84732395
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CC2CCCCN2)[nH]1
InChIInChI=1S/C9H15N3O/c13-9-11-6-8(12-9)5-7-3-1-2-4-10-7/h6-7,10H,1-5H2,(H2,11,12,13)
InChIKeyRNTLBAWSYWYPTJ-UHFFFAOYSA-N
XLogP0.39
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141054236
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CID 141080025
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CID 143176456
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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one (CID 84732395) is 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CC2CCCCN2)[nH]1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is RNTLBAWSYWYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-9-11-6-8(12-9)5-7-3-1-2-4-10-7/h6-7,10H,1-5H2,(H2,11,12,13).
What are the key properties of 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one?
4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84732395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).