2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide

C15H27N3O2 — CID 3220787

IUPAC2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
SMILESC=CCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-8-16-13(19)11-18-9-6-12(7-10-18)17-14(20)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyCBTHQIPINOTVOF-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.92
Rot. Bonds5

About 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide (PubChem CID 3220787) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
PubChem CID3220787
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
SMILESC=CCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-8-16-13(19)11-18-9-6-12(7-10-18)17-14(20)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyCBTHQIPINOTVOF-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
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
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220725
1-[4-(Prop-2-enylamino)piperidin-1-yl]ethanone
CID 43222826
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
(2S)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152662
(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152663
(2R)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836820
(2S)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836821
2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 3229544

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide (CID 3220787) is 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide is C=CCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide?
The InChIKey is CBTHQIPINOTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-16-13(19)11-18-9-6-12(7-10-18)17-14(20)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19)(H,17,20).
What are the key properties of 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 3220787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).