N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide

C17H27N5O — CID 138010977

IUPACN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCN1CCC(n2cc(NC(=O)C3NCC34CCCC4)cn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-4-14(5-9-21)22-11-13(10-19-22)20-16(23)15-17(12-18-15)6-2-3-7-17/h10-11,14-15,18H,2-9,12H2,1H3,(H,20,23)
InChIKeyWPCCDTZAUUYTQG-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide (PubChem CID 138010977) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
PubChem CID138010977
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCN1CCC(n2cc(NC(=O)C3NCC34CCCC4)cn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-4-14(5-9-21)22-11-13(10-19-22)20-16(23)15-17(12-18-15)6-2-3-7-17/h10-11,14-15,18H,2-9,12H2,1H3,(H,20,23)
InChIKeyWPCCDTZAUUYTQG-UHFFFAOYSA-N
XLogP1.62
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide
CID 167909689
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide
CID 167907569
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930981
2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
CID 167838097
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 167752647
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide (CID 138010977) is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide is CN1CCC(n2cc(NC(=O)C3NCC34CCCC4)cn2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide?
The InChIKey is WPCCDTZAUUYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-8-4-14(5-9-21)22-11-13(10-19-22)20-16(23)15-17(12-18-15)6-2-3-7-17/h10-11,14-15,18H,2-9,12H2,1H3,(H,20,23).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide?
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide is sourced from PubChem (CID 138010977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).