N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

C18H36N2O2 — CID 169317104

IUPACN-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)CCCCNC(=O)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-15(2)7-5-6-10-19-18(21)17-8-11-20(12-9-17)13-14-22-16(3)4/h15-17H,5-14H2,1-4H3,(H,19,21)
InChIKeyQGDASMFUJUXZLJ-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.07
Rot. Bonds10

About N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (PubChem CID 169317104) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
PubChem CID169317104
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)CCCCNC(=O)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-15(2)7-5-6-10-19-18(21)17-8-11-20(12-9-17)13-14-22-16(3)4/h15-17H,5-14H2,1-4H3,(H,19,21)
InChIKeyQGDASMFUJUXZLJ-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-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

1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86993216
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509650
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
CID 155037195
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55739272

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (CID 169317104) is N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is CC(C)CCCCNC(=O)C1CCN(CCOC(C)C)CC1.
What is the InChIKey of N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The InChIKey is QGDASMFUJUXZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-15(2)7-5-6-10-19-18(21)17-8-11-20(12-9-17)13-14-22-16(3)4/h15-17H,5-14H2,1-4H3,(H,19,21).
What are the key properties of N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide has a molecular weight of 312.50 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 169317104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).