3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide

C18H28N4O2 — CID 75512323

IUPAC3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)CCC3CCCC3)C2=O)n(C)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-17(21(2)20-13)22-11-5-8-15(18(22)24)19-16(23)10-9-14-6-3-4-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyWMGQQDYWCYEDMU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide

3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide (PubChem CID 75512323) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
PubChem CID75512323
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)CCC3CCCC3)C2=O)n(C)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-17(21(2)20-13)22-11-5-8-15(18(22)24)19-16(23)10-9-14-6-3-4-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyWMGQQDYWCYEDMU-UHFFFAOYSA-N
XLogP2.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide (CID 75512323) is 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide is Cc1cc(N2CCCC(NC(=O)CCC3CCCC3)C2=O)n(C)n1.
What is the InChIKey of 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is WMGQQDYWCYEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-12-17(21(2)20-13)22-11-5-8-15(18(22)24)19-16(23)10-9-14-6-3-4-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide?
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 75512323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).