1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone

C17H25N3O4 — CID 162471835

IUPAC1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESCC(=O)n1nc(C(=O)N2CCC(OCCO)CC2)c2c1CCCC2
InChIInChI=1S/C17H25N3O4/c1-12(22)20-15-5-3-2-4-14(15)16(18-20)17(23)19-8-6-13(7-9-19)24-11-10-21/h13,21H,2-11H2,1H3
InChIKeyUSOIERKPMURZHH-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.04
Rot. Bonds4

About 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone

1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone (PubChem CID 162471835) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone
PubChem CID162471835
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESCC(=O)n1nc(C(=O)N2CCC(OCCO)CC2)c2c1CCCC2
InChIInChI=1S/C17H25N3O4/c1-12(22)20-15-5-3-2-4-14(15)16(18-20)17(23)19-8-6-13(7-9-19)24-11-10-21/h13,21H,2-11H2,1H3
InChIKeyUSOIERKPMURZHH-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
CID 146552688
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 82016344
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 82691290

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone (CID 162471835) is 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone is CC(=O)n1nc(C(=O)N2CCC(OCCO)CC2)c2c1CCCC2.
What is the InChIKey of 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The InChIKey is USOIERKPMURZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(22)20-15-5-3-2-4-14(15)16(18-20)17(23)19-8-6-13(7-9-19)24-11-10-21/h13,21H,2-11H2,1H3.
What are the key properties of 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone has a molecular weight of 335.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone is sourced from PubChem (CID 162471835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).