2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide

C15H26N2O — CID 118282874

IUPAC2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide
SMILESC=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C)CC1
InChIInChI=1S/C15H26N2O/c1-11(2)17-9-7-13(8-10-17)12(3)16-14(18)15(4,5)6/h13H,1,3,7-10H2,2,4-6H3,(H,16,18)
InChIKeyCKQSAPIFCQSQNB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide

2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide (PubChem CID 118282874) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide
PubChem CID118282874
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide
SMILESC=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C)CC1
InChIInChI=1S/C15H26N2O/c1-11(2)17-9-7-13(8-10-17)12(3)16-14(18)15(4,5)6/h13H,1,3,7-10H2,2,4-6H3,(H,16,18)
InChIKeyCKQSAPIFCQSQNB-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide (CID 118282874) is 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide is C=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide?
The InChIKey is CKQSAPIFCQSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)17-9-7-13(8-10-17)12(3)16-14(18)15(4,5)6/h13H,1,3,7-10H2,2,4-6H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide?
2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide has a molecular weight of 250.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)ethenyl]propanamide is sourced from PubChem (CID 118282874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).