N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide

C17H32N2O3 — CID 75421339

IUPACN-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NC2CCC(C)CC2C)CC1
InChIInChI=1S/C17H32N2O3/c1-13-4-5-16(14(2)12-13)18-17(20)19-8-6-15(7-9-19)22-11-10-21-3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyYWWWNDDNLVMANB-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.65
Rot. Bonds5

About N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide

N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide (PubChem CID 75421339) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide
PubChem CID75421339
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NC2CCC(C)CC2C)CC1
InChIInChI=1S/C17H32N2O3/c1-13-4-5-16(14(2)12-13)18-17(20)19-8-6-15(7-9-19)22-11-10-21-3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyYWWWNDDNLVMANB-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide (CID 75421339) is N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide is COCCOC1CCN(C(=O)NC2CCC(C)CC2C)CC1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The InChIKey is YWWWNDDNLVMANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13-4-5-16(14(2)12-13)18-17(20)19-8-6-15(7-9-19)22-11-10-21-3/h13-16H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide?
N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-4-(2-methoxyethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 75421339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).