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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]urea
CID 144368541
1-(3-Fluoropiperidin-4-yl)-3-(3-methylidenecyclopenten-1-yl)imidazolidin-2-one
CID 156036028
(3R,4aR)-3-cyclohexa-1,3-dien-1-yl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 137295451
3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
CID 20187425
3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one
CID 69172167
(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
CID 70430174
3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-1,3-benzodiazepin-2-one
CID 71045366
5-methylidene-1-piperidin-4-yl-3H-cyclohepta[d]imidazol-2-one
CID 89199682
(5Z)-5-[(2Z)-penta-2,4-dienylidene]-1-piperidin-4-yl-1,3-diazepan-2-one
CID 89716852
Tert-butyl 4-(4-cyclohexa-1,3-dien-1-ylimidazolidin-1-yl)piperidine-1-carboxylate
CID 118297218
3-Cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea
CID 123514093
3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide
CID 123614318

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).