N-hexyl-4-methylpiperidine-1-carboxamide

C13H26N2O — CID 71899822

IUPACN-hexyl-4-methylpiperidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13(16)15-10-7-12(2)8-11-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMFJRQTCCGDUIBG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds5

About N-hexyl-4-methylpiperidine-1-carboxamide

N-hexyl-4-methylpiperidine-1-carboxamide (PubChem CID 71899822) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-hexyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-methylpiperidine-1-carboxamide
PubChem CID71899822
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-hexyl-4-methylpiperidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13(16)15-10-7-12(2)8-11-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMFJRQTCCGDUIBG-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115640943
N-butylaziridine-1-carboxamide
CID 55206947
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-hexyl-4-methylpiperidine-1-carboxamide (CID 71899822) is N-hexyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-hexyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-hexyl-4-methylpiperidine-1-carboxamide is CCCCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of N-hexyl-4-methylpiperidine-1-carboxamide?
The InChIKey is MFJRQTCCGDUIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13(16)15-10-7-12(2)8-11-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-hexyl-4-methylpiperidine-1-carboxamide?
N-hexyl-4-methylpiperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 71899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).