N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide

C12H22N2O — CID 142849198

IUPACN-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide
SMILESC=C(CC)N(C)C(=O)CN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-4-11(2)13(3)12(15)10-14-8-6-5-7-9-14/h2,4-10H2,1,3H3
InChIKeyJPWJINKYSTZBEW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.85
Rot. Bonds4

About N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide

N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide (PubChem CID 142849198) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide
PubChem CID142849198
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide
SMILESC=C(CC)N(C)C(=O)CN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-4-11(2)13(3)12(15)10-14-8-6-5-7-9-14/h2,4-10H2,1,3H3
InChIKeyJPWJINKYSTZBEW-UHFFFAOYSA-N
XLogP1.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide (CID 142849198) is N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide is C=C(CC)N(C)C(=O)CN1CCCCC1.
What is the InChIKey of N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide?
The InChIKey is JPWJINKYSTZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(2)13(3)12(15)10-14-8-6-5-7-9-14/h2,4-10H2,1,3H3.
What are the key properties of N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide?
N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-methyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 142849198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).