1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone

C25H35N3O3S — CID 26352136

IUPAC1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C25H35N3O3S/c1-18(29)21-7-8-22(32-21)24(31)27-11-9-25(10-12-27)17-20(25)23(30)28-15-13-26(14-16-28)19-5-3-2-4-6-19/h7-8,19-20H,2-6,9-17H2,1H3/t20-/m1/s1
InChIKeyAJPQGBPYNBQGOP-HXUWFJFHSA-N
MW457.64 g/mol
LogP3.67
Rot. Bonds4

About 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone

1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone (PubChem CID 26352136) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
PubChem CID26352136
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C25H35N3O3S/c1-18(29)21-7-8-22(32-21)24(31)27-11-9-25(10-12-27)17-20(25)23(30)28-15-13-26(14-16-28)19-5-3-2-4-6-19/h7-8,19-20H,2-6,9-17H2,1H3/t20-/m1/s1
InChIKeyAJPQGBPYNBQGOP-HXUWFJFHSA-N
XLogP3.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[(2R)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352140
ethyl 4-[(2S)-6-(5-methylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 42317512
2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide
CID 91533216
1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
CID 87353169
1-[5-[(4R)-4-hydroxy-4-(hydroxymethyl)azepane-1-carbonyl]thiophen-2-yl]ethanone
CID 99933082
1-[5-[(4S)-4-hydroxy-4-(hydroxymethyl)azepane-1-carbonyl]thiophen-2-yl]ethanone
CID 99933083
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730
6-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174428
1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
(4-cyclohexylpiperazin-1-yl)-[(5R)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]methanone
CID 95108792
5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 58816349

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone (CID 26352136) is 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(C3CCCCC3)CC2)s1.
What is the InChIKey of 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is AJPQGBPYNBQGOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-18(29)21-7-8-22(32-21)24(31)27-11-9-25(10-12-27)17-20(25)23(30)28-15-13-26(14-16-28)19-5-3-2-4-6-19/h7-8,19-20H,2-6,9-17H2,1H3/t20-/m1/s1.
What are the key properties of 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone?
1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 457.64 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 26352136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).