N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide

C12H22N2O — CID 175164204

IUPACN-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C12H22N2O/c1-6-11(15)13-10-7-8-14(5)12(3,4)9(10)2/h6,9-10H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyQLTMHHLBOBECDJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds2

About N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide

N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide (PubChem CID 175164204) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide
PubChem CID175164204
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C12H22N2O/c1-6-11(15)13-10-7-8-14(5)12(3,4)9(10)2/h6,9-10H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyQLTMHHLBOBECDJ-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide (CID 175164204) is N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide is C=CC(=O)NC1CCN(C)C(C)(C)C1C.
What is the InChIKey of N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide?
The InChIKey is QLTMHHLBOBECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-11(15)13-10-7-8-14(5)12(3,4)9(10)2/h6,9-10H,1,7-8H2,2-5H3,(H,13,15).
What are the key properties of N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide?
N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,3-tetramethylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 175164204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).