N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide

C18H25N3O3 — CID 52986551

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H25N3O3/c22-17(16-12-15(20-21-16)13-4-2-1-3-5-13)19-14-6-8-18(9-7-14)23-10-11-24-18/h1-5,14-16,20-21H,6-12H2,(H,19,22)
InChIKeyOXPMBWJVKCPFKB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.40
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 52986551) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID52986551
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H25N3O3/c22-17(16-12-15(20-21-16)13-4-2-1-3-5-13)19-14-6-8-18(9-7-14)23-10-11-24-18/h1-5,14-16,20-21H,6-12H2,(H,19,22)
InChIKeyOXPMBWJVKCPFKB-UHFFFAOYSA-N
XLogP1.40
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide (CID 52986551) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is OXPMBWJVKCPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(16-12-15(20-21-16)13-4-2-1-3-5-13)19-14-6-8-18(9-7-14)23-10-11-24-18/h1-5,14-16,20-21H,6-12H2,(H,19,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 52986551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).