N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide

C16H28N4O3 — CID 37458903

IUPACN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C16H28N4O3/c1-5-8-17-16(23)18-14(21)11-20-9-6-13(7-10-20)15(22)19(4)12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,17,18,21,23)
InChIKeyWBAKHIHGZLWBCU-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.58
Rot. Bonds6

About N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide

N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 37458903) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID37458903
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C16H28N4O3/c1-5-8-17-16(23)18-14(21)11-20-9-6-13(7-10-20)15(22)19(4)12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,17,18,21,23)
InChIKeyWBAKHIHGZLWBCU-UHFFFAOYSA-N
XLogP0.58
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 37458903) is N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide is C=CCNC(=O)NC(=O)CN1CCC(C(=O)N(C)C(C)C)CC1.
What is the InChIKey of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WBAKHIHGZLWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-5-8-17-16(23)18-14(21)11-20-9-6-13(7-10-20)15(22)19(4)12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,17,18,21,23).
What are the key properties of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide?
N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 37458903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).