cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone

C19H31N3O2 — CID 11624140

IUPACcyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)C2CCCCC2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-21-17(18(23)16-9-4-2-5-10-16)15-20-19(21)24-14-8-13-22-11-6-3-7-12-22/h15-16H,2-14H2,1H3
InChIKeyRMLYMKQKEHIZQT-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.44
Rot. Bonds7

About cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone

cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (PubChem CID 11624140) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
PubChem CID11624140
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namecyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)C2CCCCC2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-21-17(18(23)16-9-4-2-5-10-16)15-20-19(21)24-14-8-13-22-11-6-3-7-12-22/h15-16H,2-14H2,1H3
InChIKeyRMLYMKQKEHIZQT-UHFFFAOYSA-N
XLogP3.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The IUPAC name of cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (CID 11624140) is cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The canonical SMILES for cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone is Cn1c(C(=O)C2CCCCC2)cnc1OCCCN1CCCCC1.
What is the InChIKey of cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The InChIKey is RMLYMKQKEHIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-21-17(18(23)16-9-4-2-5-10-16)15-20-19(21)24-14-8-13-22-11-6-3-7-12-22/h15-16H,2-14H2,1H3.
What are the key properties of cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone is sourced from PubChem (CID 11624140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).