N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide

C13H22N2O2 — CID 138719004

IUPACN-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-5-11(16)15-8-6-7-10(9-15)12(17)14-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,14,17)
InChIKeyZAHOYSIFZNZYLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds2

About N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide

N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 138719004) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID138719004
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-5-11(16)15-8-6-7-10(9-15)12(17)14-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,14,17)
InChIKeyZAHOYSIFZNZYLX-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
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

(3R)-N-tert-butyl-5-[2-methyl-2-[[(3S)-1-prop-2-enoylpiperidine-3-carbonyl]amino]propyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719006
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166428273
N-tert-butylcyclooctanecarboxamide
CID 65022804
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413075
1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane
CID 172623481
1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide
CID 166412820
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 169079209

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide (CID 138719004) is N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is ZAHOYSIFZNZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-11(16)15-8-6-7-10(9-15)12(17)14-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,14,17).
What are the key properties of N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide?
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 138719004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).