N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

C20H30N4O2 — CID 53201744

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(N2CCCCC2)n1
InChIInChI=1S/C20H30N4O2/c1-16-14-19(26)24(20(22-16)23-12-6-3-7-13-23)15-18(25)21-11-10-17-8-4-2-5-9-17/h8,14H,2-7,9-13,15H2,1H3,(H,21,25)
InChIKeyRVBUANYBPYPNFP-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 53201744) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID53201744
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(N2CCCCC2)n1
InChIInChI=1S/C20H30N4O2/c1-16-14-19(26)24(20(22-16)23-12-6-3-7-13-23)15-18(25)21-11-10-17-8-4-2-5-9-17/h8,14H,2-7,9-13,15H2,1H3,(H,21,25)
InChIKeyRVBUANYBPYPNFP-UHFFFAOYSA-N
XLogP2.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 53201744) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(N2CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is RVBUANYBPYPNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-14-19(26)24(20(22-16)23-12-6-3-7-13-23)15-18(25)21-11-10-17-8-4-2-5-9-17/h8,14H,2-7,9-13,15H2,1H3,(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 53201744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).