5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C21H33N5O3 — CID 110201709

IUPAC5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCCn1ccc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)n1
InChIInChI=1S/C21H33N5O3/c1-2-26-16-9-18(23-26)21(29)25-13-7-17(8-14-25)20(28)24-12-6-4-3-5-11-22-19(27)10-15-24/h9,16-17H,2-8,10-15H2,1H3,(H,22,27)
InChIKeySDHYPLGVIOFTTR-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.66
Rot. Bonds3

About 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201709) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201709
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCCn1ccc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)n1
InChIInChI=1S/C21H33N5O3/c1-2-26-16-9-18(23-26)21(29)25-13-7-17(8-14-25)20(28)24-12-6-4-3-5-11-22-19(27)10-15-24/h9,16-17H,2-8,10-15H2,1H3,(H,22,27)
InChIKeySDHYPLGVIOFTTR-UHFFFAOYSA-N
XLogP1.66
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201709) is 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is CCn1ccc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)n1.
What is the InChIKey of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is SDHYPLGVIOFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-2-26-16-9-18(23-26)21(29)25-13-7-17(8-14-25)20(28)24-12-6-4-3-5-11-22-19(27)10-15-24/h9,16-17H,2-8,10-15H2,1H3,(H,22,27).
What are the key properties of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 403.53 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).