cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C19H27N3O — CID 167824474

IUPACcyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCc2nc(C3CCCCC3)[nH]c2C1
InChIInChI=1S/C19H27N3O/c23-19(15-9-5-2-6-10-15)22-12-11-16-17(13-22)21-18(20-16)14-7-3-1-4-8-14/h2,5,14-15H,1,3-4,6-13H2,(H,20,21)
InChIKeyZTDMHTOTUQPJQA-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.70
Rot. Bonds2

About cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 167824474) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID167824474
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Namecyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCc2nc(C3CCCCC3)[nH]c2C1
InChIInChI=1S/C19H27N3O/c23-19(15-9-5-2-6-10-15)22-12-11-16-17(13-22)21-18(20-16)14-7-3-1-4-8-14/h2,5,14-15H,1,3-4,6-13H2,(H,20,21)
InChIKeyZTDMHTOTUQPJQA-UHFFFAOYSA-N
XLogP3.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860390
cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone
CID 126855015
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
[(1S)-cyclohex-3-en-1-yl]-[2-[(2S)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 124820498
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 97104375
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 95367762
N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 71788349
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136881665
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
ethyl N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788109
cyclohex-3-en-1-yl-(4-isoquinolin-3-ylpiperidin-1-yl)methanone
CID 110221173

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 167824474) is cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(C1CC=CCC1)N1CCc2nc(C3CCCCC3)[nH]c2C1.
What is the InChIKey of cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ZTDMHTOTUQPJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(15-9-5-2-6-10-15)22-12-11-16-17(13-22)21-18(20-16)14-7-3-1-4-8-14/h2,5,14-15H,1,3-4,6-13H2,(H,20,21).
What are the key properties of cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 313.45 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 167824474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).