1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one

C15H23N3O — CID 139307152

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2=CCCC=C2)CCN1C1CCNCC1
InChIInChI=1S/C15H23N3O/c19-15-17(12-13-4-2-1-3-5-13)10-11-18(15)14-6-8-16-9-7-14/h2,4-5,14,16H,1,3,6-12H2
InChIKeyYDTJNVXBXQXDCR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.75
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one

1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 139307152) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
PubChem CID139307152
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2=CCCC=C2)CCN1C1CCNCC1
InChIInChI=1S/C15H23N3O/c19-15-17(12-13-4-2-1-3-5-13)10-11-18(15)14-6-8-16-9-7-14/h2,4-5,14,16H,1,3,6-12H2
InChIKeyYDTJNVXBXQXDCR-UHFFFAOYSA-N
XLogP1.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (CID 139307152) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is O=C1N(CC2=CCCC=C2)CCN1C1CCNCC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is YDTJNVXBXQXDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15-17(12-13-4-2-1-3-5-13)10-11-18(15)14-6-8-16-9-7-14/h2,4-5,14,16H,1,3,6-12H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 139307152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).