N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide

C15H24N2O — CID 58597773

IUPACN-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide
SMILESC#CC1(NC(=O)C2CCN(C)CC2)CCCCC1
InChIInChI=1S/C15H24N2O/c1-3-15(9-5-4-6-10-15)16-14(18)13-7-11-17(2)12-8-13/h1,13H,4-12H2,2H3,(H,16,18)
InChIKeyCPFGSDOHWJQCMA-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds2

About N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide

N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide (PubChem CID 58597773) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide
PubChem CID58597773
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide
SMILESC#CC1(NC(=O)C2CCN(C)CC2)CCCCC1
InChIInChI=1S/C15H24N2O/c1-3-15(9-5-4-6-10-15)16-14(18)13-7-11-17(2)12-8-13/h1,13H,4-12H2,2H3,(H,16,18)
InChIKeyCPFGSDOHWJQCMA-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide (CID 58597773) is N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide is C#CC1(NC(=O)C2CCN(C)CC2)CCCCC1.
What is the InChIKey of N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is CPFGSDOHWJQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-15(9-5-4-6-10-15)16-14(18)13-7-11-17(2)12-8-13/h1,13H,4-12H2,2H3,(H,16,18).
What are the key properties of N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide?
N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58597773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).