N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide

C17H28N4O3 — CID 126822601

IUPACN-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide
SMILESCCn1nccc1C1NC(=O)CCC1NC(=O)C(C)OCC(C)C
InChIInChI=1S/C17H28N4O3/c1-5-21-14(8-9-18-21)16-13(6-7-15(22)20-16)19-17(23)12(4)24-10-11(2)3/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyUCHTYOKRMQELNF-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide

N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide (PubChem CID 126822601) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide
PubChem CID126822601
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide
SMILESCCn1nccc1C1NC(=O)CCC1NC(=O)C(C)OCC(C)C
InChIInChI=1S/C17H28N4O3/c1-5-21-14(8-9-18-21)16-13(6-7-15(22)20-16)19-17(23)12(4)24-10-11(2)3/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyUCHTYOKRMQELNF-UHFFFAOYSA-N
XLogP1.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide (CID 126822601) is N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide is CCn1nccc1C1NC(=O)CCC1NC(=O)C(C)OCC(C)C.
What is the InChIKey of N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide?
The InChIKey is UCHTYOKRMQELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-21-14(8-9-18-21)16-13(6-7-15(22)20-16)19-17(23)12(4)24-10-11(2)3/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide?
N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide has a molecular weight of 336.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpyrazol-3-yl)-6-oxopiperidin-3-yl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 126822601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).