N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

C21H28N4O2S — CID 53184696

IUPACN-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C21H28N4O2S/c26-19(22-10-5-12-25-13-6-11-23-25)17-15-24(20(27)18-7-4-14-28-18)16-21(17)8-2-1-3-9-21/h4,6-7,11,13-14,17H,1-3,5,8-10,12,15-16H2,(H,22,26)
InChIKeyDMIMHDQGUZNKBP-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.17
Rot. Bonds6

About N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184696) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184696
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C21H28N4O2S/c26-19(22-10-5-12-25-13-6-11-23-25)17-15-24(20(27)18-7-4-14-28-18)16-21(17)8-2-1-3-9-21/h4,6-7,11,13-14,17H,1-3,5,8-10,12,15-16H2,(H,22,26)
InChIKeyDMIMHDQGUZNKBP-UHFFFAOYSA-N
XLogP3.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107110
N-(2-pyrrolidin-1-ylethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184682
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
methyl 3-[(2-benzoyl-2-azaspiro[4.5]decane-4-carbonyl)amino]propanoate
CID 53184577
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836981
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184696) is N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCCn1cccn1)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DMIMHDQGUZNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c26-19(22-10-5-12-25-13-6-11-23-25)17-15-24(20(27)18-7-4-14-28-18)16-21(17)8-2-1-3-9-21/h4,6-7,11,13-14,17H,1-3,5,8-10,12,15-16H2,(H,22,26).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).