N-hexyl-3-methylpiperidine-3-carboxamide

C13H26N2O — CID 63130071

IUPACN-hexyl-3-methylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-10-15-12(16)13(2)8-7-9-14-11-13/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeyAQCNOXKEAXRCLK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About N-hexyl-3-methylpiperidine-3-carboxamide

N-hexyl-3-methylpiperidine-3-carboxamide (PubChem CID 63130071) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-hexyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-methylpiperidine-3-carboxamide
PubChem CID63130071
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-hexyl-3-methylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-10-15-12(16)13(2)8-7-9-14-11-13/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeyAQCNOXKEAXRCLK-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 115737915
1-(3-methylpiperidin-3-yl)heptan-1-one
CID 116569464
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 103950559
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-hexyl-3-methylpiperidine-3-carboxamide (CID 63130071) is N-hexyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-hexyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-hexyl-3-methylpiperidine-3-carboxamide is CCCCCCNC(=O)C1(C)CCCNC1.
What is the InChIKey of N-hexyl-3-methylpiperidine-3-carboxamide?
The InChIKey is AQCNOXKEAXRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-10-15-12(16)13(2)8-7-9-14-11-13/h14H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-hexyl-3-methylpiperidine-3-carboxamide?
N-hexyl-3-methylpiperidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).