N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide

C21H36N4O2 — CID 91911697

IUPACN-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
SMILESCOCCCn1c(C)cnc1CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H36N4O2/c1-17-16-22-20(25(17)11-6-14-27-2)15-18-9-12-24(13-10-18)21(26)23-19-7-4-3-5-8-19/h16,18-19H,3-15H2,1-2H3,(H,23,26)
InChIKeyBSEDSIBSIDWWTK-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.52
Rot. Bonds7

About N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide

N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 91911697) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
PubChem CID91911697
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
SMILESCOCCCn1c(C)cnc1CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H36N4O2/c1-17-16-22-20(25(17)11-6-14-27-2)15-18-9-12-24(13-10-18)21(26)23-19-7-4-3-5-8-19/h16,18-19H,3-15H2,1-2H3,(H,23,26)
InChIKeyBSEDSIBSIDWWTK-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide (CID 91911697) is N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide is COCCCn1c(C)cnc1CC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is BSEDSIBSIDWWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-17-16-22-20(25(17)11-6-14-27-2)15-18-9-12-24(13-10-18)21(26)23-19-7-4-3-5-8-19/h16,18-19H,3-15H2,1-2H3,(H,23,26).
What are the key properties of N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91911697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).