N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide

C13H22N2O — CID 106230513

IUPACN-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide
SMILESC#CC(CCC)NC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H22N2O/c1-4-6-11(5-2)15-13(16)12-9-10(3)7-8-14-12/h2,10-12,14H,4,6-9H2,1,3H3,(H,15,16)
InChIKeyNYHRPZXMCVRZNW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds4

About N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide

N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide (PubChem CID 106230513) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide
PubChem CID106230513
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide
SMILESC#CC(CCC)NC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H22N2O/c1-4-6-11(5-2)15-13(16)12-9-10(3)7-8-14-12/h2,10-12,14H,4,6-9H2,1,3H3,(H,15,16)
InChIKeyNYHRPZXMCVRZNW-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
CID 114424286
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424416
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989
4-methyl-N-pent-4-en-2-ylpiperidine-2-carboxamide
CID 114424522
4-methylpiperidine-2-carbohydrazide
CID 114424068

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide (CID 106230513) is N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide is C#CC(CCC)NC(=O)C1CC(C)CCN1.
What is the InChIKey of N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide?
The InChIKey is NYHRPZXMCVRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-11(5-2)15-13(16)12-9-10(3)7-8-14-12/h2,10-12,14H,4,6-9H2,1,3H3,(H,15,16).
What are the key properties of N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide?
N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106230513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).