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'}

Analyze N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439103
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide
CID 122156038

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).