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

C21H33N5O3 — CID 110201708

IUPAC5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCCn1nccc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-2-26-18(7-12-23-26)21(29)25-14-8-17(9-15-25)20(28)24-13-6-4-3-5-11-22-19(27)10-16-24/h7,12,17H,2-6,8-11,13-16H2,1H3,(H,22,27)
InChIKeyKROYXJXDCMCZFG-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.66
Rot. Bonds3

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

5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201708) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201708
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCCn1nccc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-2-26-18(7-12-23-26)21(29)25-14-8-17(9-15-25)20(28)24-13-6-4-3-5-11-22-19(27)10-16-24/h7,12,17H,2-6,8-11,13-16H2,1H3,(H,22,27)
InChIKeyKROYXJXDCMCZFG-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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Related Compounds

5-[1-(1-methylpyrrole-2-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201705
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199288
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
[(2R)-4-(2-ethylpyrazole-3-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632860
N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
CID 110201725
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
5-[1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201685
1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 110246499
3-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 138002521
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201704

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201708) is 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is CCn1nccc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1.
What is the InChIKey of 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is KROYXJXDCMCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-2-26-18(7-12-23-26)21(29)25-14-8-17(9-15-25)20(28)24-13-6-4-3-5-11-22-19(27)10-16-24/h7,12,17H,2-6,8-11,13-16H2,1H3,(H,22,27).
What are the key properties of 5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(2-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-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).