2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide

C13H23N3O — CID 83022196

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NN1C(C)CCCC1C
InChIInChI=1S/C13H23N3O/c1-5-9-14-13(17)12(4)15-16-10(2)7-6-8-11(16)3/h1,10-12,15H,6-9H2,2-4H3,(H,14,17)
InChIKeyFBTODTZOMRJASC-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.89
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide

2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide (PubChem CID 83022196) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide
PubChem CID83022196
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NN1C(C)CCCC1C
InChIInChI=1S/C13H23N3O/c1-5-9-14-13(17)12(4)15-16-10(2)7-6-8-11(16)3/h1,10-12,15H,6-9H2,2-4H3,(H,14,17)
InChIKeyFBTODTZOMRJASC-UHFFFAOYSA-N
XLogP0.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.89
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

1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
2-[(1-methylpiperidin-4-yl)amino]-N-prop-2-ynylpropanamide
CID 43373498
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
CID 83021986
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
CID 79870047
2-[(1-methylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 60855261
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide (CID 83022196) is 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NN1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is FBTODTZOMRJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-9-14-13(17)12(4)15-16-10(2)7-6-8-11(16)3/h1,10-12,15H,6-9H2,2-4H3,(H,14,17).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide?
2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 83022196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).