N-(2-methylpiperidin-3-yl)prop-2-ynamide

C9H14N2O — CID 114694858

IUPACN-(2-methylpiperidin-3-yl)prop-2-ynamide
SMILESC#CC(=O)NC1CCCNC1C
InChIInChI=1S/C9H14N2O/c1-3-9(12)11-8-5-4-6-10-7(8)2/h1,7-8,10H,4-6H2,2H3,(H,11,12)
InChIKeyAAOFYNGJLPYMKY-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.12
Rot. Bonds1

About N-(2-methylpiperidin-3-yl)prop-2-ynamide

N-(2-methylpiperidin-3-yl)prop-2-ynamide (PubChem CID 114694858) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)prop-2-ynamide
PubChem CID114694858
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(2-methylpiperidin-3-yl)prop-2-ynamide
SMILESC#CC(=O)NC1CCCNC1C
InChIInChI=1S/C9H14N2O/c1-3-9(12)11-8-5-4-6-10-7(8)2/h1,7-8,10H,4-6H2,2H3,(H,11,12)
InChIKeyAAOFYNGJLPYMKY-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.12
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

1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)prop-2-ynamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)prop-2-ynamide (CID 114694858) is N-(2-methylpiperidin-3-yl)prop-2-ynamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)prop-2-ynamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)prop-2-ynamide is C#CC(=O)NC1CCCNC1C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)prop-2-ynamide?
The InChIKey is AAOFYNGJLPYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-9(12)11-8-5-4-6-10-7(8)2/h1,7-8,10H,4-6H2,2H3,(H,11,12).
What are the key properties of N-(2-methylpiperidin-3-yl)prop-2-ynamide?
N-(2-methylpiperidin-3-yl)prop-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)prop-2-ynamide is sourced from PubChem (CID 114694858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).