2-piperidin-1-yl-N-prop-2-ynylpropanamide

C11H18N2O — CID 130156837

IUPAC2-piperidin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-3-7-12-11(14)10(2)13-8-5-4-6-9-13/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeySCQMOYYVBSTERA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds3

About 2-piperidin-1-yl-N-prop-2-ynylpropanamide

2-piperidin-1-yl-N-prop-2-ynylpropanamide (PubChem CID 130156837) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-prop-2-ynylpropanamide
PubChem CID130156837
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-piperidin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-3-7-12-11(14)10(2)13-8-5-4-6-9-13/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeySCQMOYYVBSTERA-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849612
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
2-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 71984047
(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 129378274
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 125439624
(2R)-2-[2-(azepan-1-yl)propanoylamino]propanoic acid
CID 119370307

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-piperidin-1-yl-N-prop-2-ynylpropanamide (CID 130156837) is 2-piperidin-1-yl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-piperidin-1-yl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-piperidin-1-yl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-prop-2-ynylpropanamide?
The InChIKey is SCQMOYYVBSTERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-7-12-11(14)10(2)13-8-5-4-6-9-13/h1,10H,4-9H2,2H3,(H,12,14).
What are the key properties of 2-piperidin-1-yl-N-prop-2-ynylpropanamide?
2-piperidin-1-yl-N-prop-2-ynylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 130156837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).