(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide

C13H24N2O — CID 94444756

IUPAC(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C13H24N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h5,10-12H,1,6-9H2,2-4H3,(H,14,16)/t10-,11+,12-/m0/s1
InChIKeySOOIGJOETXGTAK-TUAOUCFPSA-N
MW224.35 g/mol
LogP1.65
Rot. Bonds4

About (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide

(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 94444756) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID94444756
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C13H24N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h5,10-12H,1,6-9H2,2-4H3,(H,14,16)/t10-,11+,12-/m0/s1
InChIKeySOOIGJOETXGTAK-TUAOUCFPSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-prop-2-enylpropanamide
CID 102682857
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108520564
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylpropanamide;hydrochloride
CID 120761740
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
CID 91830261
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide (CID 94444756) is (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is SOOIGJOETXGTAK-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h5,10-12H,1,6-9H2,2-4H3,(H,14,16)/t10-,11+,12-/m0/s1.
What are the key properties of (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide?
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 94444756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).