(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate

C15H25NO3 — CID 139760779

IUPAC(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate
SMILESCC(=O)N1CCCCC1OC(=O)C(=C(C)C)C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)14(11(3)4)15(18)19-13-8-6-7-9-16(13)12(5)17/h10,13H,6-9H2,1-5H3
InChIKeyIQKJHIDWICHHEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.88
Rot. Bonds3

About (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate

(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate (PubChem CID 139760779) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate.

Molecular Properties

Compound Name(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate
PubChem CID139760779
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate
SMILESCC(=O)N1CCCCC1OC(=O)C(=C(C)C)C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)14(11(3)4)15(18)19-13-8-6-7-9-16(13)12(5)17/h10,13H,6-9H2,1-5H3
InChIKeyIQKJHIDWICHHEQ-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
CID 102032429
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
1-[2-(dimethylamino)piperidin-1-yl]ethanone
CID 90836740
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate?
The IUPAC name of (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate (CID 139760779) is (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate.
What is the SMILES notation for (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate?
The canonical SMILES for (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate is CC(=O)N1CCCCC1OC(=O)C(=C(C)C)C(C)C.
What is the InChIKey of (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate?
The InChIKey is IQKJHIDWICHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)14(11(3)4)15(18)19-13-8-6-7-9-16(13)12(5)17/h10,13H,6-9H2,1-5H3.
What are the key properties of (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate?
(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate is sourced from PubChem (CID 139760779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).