N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide

C13H26N2O2 — CID 107257589

IUPACN-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCCCCO)C1
InChIInChI=1S/C13H26N2O2/c1-12-7-6-9-15(11-12)13(17)14-8-4-2-3-5-10-16/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyAYPPWTMUZKQPMY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.98
Rot. Bonds6

About N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide

N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide (PubChem CID 107257589) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide
PubChem CID107257589
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCCCCO)C1
InChIInChI=1S/C13H26N2O2/c1-12-7-6-9-15(11-12)13(17)14-8-4-2-3-5-10-16/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyAYPPWTMUZKQPMY-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-hydroxyhexyl)-3-methylpiperidine-1-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-ethyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 49757603
3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 110311485
N-[3-(diethylamino)propyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 172436856
N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
CID 71922578
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 109882282
4-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971344
3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide
CID 110896465
N-(5-methylhexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319432
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115613495
N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 19261646

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide (CID 107257589) is N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCCCCCO)C1.
What is the InChIKey of N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is AYPPWTMUZKQPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12-7-6-9-15(11-12)13(17)14-8-4-2-3-5-10-16/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide?
N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107257589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).