2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide

C11H18N2O2 — CID 60718862

IUPAC2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-6-12-11(15)9(2)13-7-4-5-10(14)8-13/h1,9-10,14H,4-8H2,2H3,(H,12,15)
InChIKeyCYXKNJTWBFYWSA-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.42
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide

2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide (PubChem CID 60718862) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
PubChem CID60718862
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-6-12-11(15)9(2)13-7-4-5-10(14)8-13/h1,9-10,14H,4-8H2,2H3,(H,12,15)
InChIKeyCYXKNJTWBFYWSA-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
CID 94185282
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 79546238
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 114339675
N-(2,6-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 110884119
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849612
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide (CID 60718862) is 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide?
The InChIKey is CYXKNJTWBFYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-6-12-11(15)9(2)13-7-4-5-10(14)8-13/h1,9-10,14H,4-8H2,2H3,(H,12,15).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide?
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide has a molecular weight of 210.28 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60718862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).