2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide

C14H24N2O2 — CID 113223568

IUPAC2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
SMILESCC(C)=CC(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-10(2)9-13(17)16-7-5-12(6-8-16)15-14(18)11(3)4/h9,11-12H,5-8H2,1-4H3,(H,15,18)
InChIKeyLZEHXFDZENYKOP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide

2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide (PubChem CID 113223568) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
PubChem CID113223568
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
SMILESCC(C)=CC(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-10(2)9-13(17)16-7-5-12(6-8-16)15-14(18)11(3)4/h9,11-12H,5-8H2,1-4H3,(H,15,18)
InChIKeyLZEHXFDZENYKOP-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
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2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide (CID 113223568) is 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide is CC(C)=CC(=O)N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The InChIKey is LZEHXFDZENYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)9-13(17)16-7-5-12(6-8-16)15-14(18)11(3)4/h9,11-12H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 113223568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).