3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide

C22H35N3O3S — CID 42175197

IUPAC3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O3S/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-19-29(27,28)25-17-15-24(16-18-25)21-10-5-2-6-11-21/h2,5-6,10-11,20H,1,3-4,7-9,12-19H2,(H,23,26)
InChIKeyOTXWUWVSNPKWJP-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.01
Rot. Bonds9

About 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide

3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide (PubChem CID 42175197) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
PubChem CID42175197
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O3S/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-19-29(27,28)25-17-15-24(16-18-25)21-10-5-2-6-11-21/h2,5-6,10-11,20H,1,3-4,7-9,12-19H2,(H,23,26)
InChIKeyOTXWUWVSNPKWJP-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 74777205
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide (CID 42175197) is 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide is O=C(CCC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The InChIKey is OTXWUWVSNPKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-19-29(27,28)25-17-15-24(16-18-25)21-10-5-2-6-11-21/h2,5-6,10-11,20H,1,3-4,7-9,12-19H2,(H,23,26).
What are the key properties of 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide has a molecular weight of 421.61 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide is sourced from PubChem (CID 42175197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).