N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide

C19H34N2O — CID 118282869

IUPACN-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide
SMILESC=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C(CC)CC)CC1
InChIInChI=1S/C19H34N2O/c1-8-16(9-2)15(4)21-12-10-17(11-13-21)14(3)20-18(22)19(5,6)7/h16-17H,3-4,8-13H2,1-2,5-7H3,(H,20,22)
InChIKeySYRNKIQICJTLBX-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.32
Rot. Bonds6

About N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide

N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide (PubChem CID 118282869) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide
PubChem CID118282869
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide
SMILESC=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C(CC)CC)CC1
InChIInChI=1S/C19H34N2O/c1-8-16(9-2)15(4)21-12-10-17(11-13-21)14(3)20-18(22)19(5,6)7/h16-17H,3-4,8-13H2,1-2,5-7H3,(H,20,22)
InChIKeySYRNKIQICJTLBX-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide (CID 118282869) is N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide is C=C(NC(=O)C(C)(C)C)C1CCN(C(=C)C(CC)CC)CC1.
What is the InChIKey of N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide?
The InChIKey is SYRNKIQICJTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-8-16(9-2)15(4)21-12-10-17(11-13-21)14(3)20-18(22)19(5,6)7/h16-17H,3-4,8-13H2,1-2,5-7H3,(H,20,22).
What are the key properties of N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide?
N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide has a molecular weight of 306.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]ethenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118282869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).