2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide

C13H24N2O — CID 47012773

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC(C)CC(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)
InChIKeySOOIGJOETXGTAK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.65
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide

2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 47012773) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID47012773
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC(C)CC(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)
InChIKeySOOIGJOETXGTAK-UHFFFAOYSA-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

4-(2-Amino-4-methylpentyl)-6-(2-methylpropyl)piperazin-2-one
CID 44385949
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
5-(2-Methylpropyl)piperazin-2-one
CID 13553919
2,2-dimethyl-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 42942617
2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide
CID 47012774
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753
N-cyclopropyl-2-[4-(2,5-dihydropyrrol-1-yl)piperidin-1-yl]propanamide
CID 72111255
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
N~1~-allyl-N~2~-(4-piperidinylmethyl)ethanediamide
CID 565272
1-Ethyl-5-isobutylpiperazin-2-one
CID 13553915
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide (CID 47012773) is 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is SOOIGJOETXGTAK-UHFFFAOYSA-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).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide?
2-(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 2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 47012773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).