1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide

C18H29N5O3 — CID 146650710

IUPAC1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide
SMILESCC1CCC(C(=O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H29N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15H,2-9,11,19H2,1H3,(H,21,24)
InChIKeyJNXIVOLVCKINMC-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide

1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide (PubChem CID 146650710) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide
PubChem CID146650710
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide
SMILESCC1CCC(C(=O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H29N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15H,2-9,11,19H2,1H3,(H,21,24)
InChIKeyJNXIVOLVCKINMC-UHFFFAOYSA-N
XLogP1.34
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide (CID 146650710) is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide is CC1CCC(C(=O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide?
The InChIKey is JNXIVOLVCKINMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15H,2-9,11,19H2,1H3,(H,21,24).
What are the key properties of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide?
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide has a molecular weight of 363.46 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidine-3-carbohydrazide is sourced from PubChem (CID 146650710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).