N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H28N4OS — CID 129337393

IUPACN-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCn1cc(CN2CCC3(CC2)C[C@H]3N(Cc2ccsc2)C(C)=O)cn1
InChIInChI=1S/C20H28N4OS/c1-3-23-13-18(11-21-23)12-22-7-5-20(6-8-22)10-19(20)24(16(2)25)14-17-4-9-26-15-17/h4,9,11,13,15,19H,3,5-8,10,12,14H2,1-2H3/t19-/m1/s1
InChIKeyLPFKRKBIXSQPFK-LJQANCHMSA-N
MW372.54 g/mol
LogP3.37
Rot. Bonds6

About N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 129337393) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID129337393
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCn1cc(CN2CCC3(CC2)C[C@H]3N(Cc2ccsc2)C(C)=O)cn1
InChIInChI=1S/C20H28N4OS/c1-3-23-13-18(11-21-23)12-22-7-5-20(6-8-22)10-19(20)24(16(2)25)14-17-4-9-26-15-17/h4,9,11,13,15,19H,3,5-8,10,12,14H2,1-2H3/t19-/m1/s1
InChIKeyLPFKRKBIXSQPFK-LJQANCHMSA-N
XLogP3.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128994950
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-[(2S)-6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129478324
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240
N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475710
N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128972946
N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 167759982
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 129337393) is N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CCn1cc(CN2CCC3(CC2)C[C@H]3N(Cc2ccsc2)C(C)=O)cn1.
What is the InChIKey of N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LPFKRKBIXSQPFK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-3-23-13-18(11-21-23)12-22-7-5-20(6-8-22)10-19(20)24(16(2)25)14-17-4-9-26-15-17/h4,9,11,13,15,19H,3,5-8,10,12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 372.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 129337393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).