1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide

C29H39N3O5S — CID 20620249

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(N4CCCCC4)c3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C29H39N3O5S/c33-28(30-34)29(15-19-32(20-16-29)24-9-10-24)38(35,36)27-13-11-26(12-14-27)37-21-5-7-23-6-4-8-25(22-23)31-17-2-1-3-18-31/h4,6,8,11-14,22,24,34H,1-3,5,7,9-10,15-21H2,(H,30,33)
InChIKeyPFSLUBHJEACHCY-UHFFFAOYSA-N
MW541.71 g/mol
LogP3.96
Rot. Bonds10

About 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 20620249) has the molecular formula C29H39N3O5S and a molecular weight of 541.71 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID20620249
Molecular FormulaC29H39N3O5S
Molecular Weight541.71 g/mol
Exact Mass541.26
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(N4CCCCC4)c3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C29H39N3O5S/c33-28(30-34)29(15-19-32(20-16-29)24-9-10-24)38(35,36)27-13-11-26(12-14-27)37-21-5-7-23-6-4-8-25(22-23)31-17-2-1-3-18-31/h4,6,8,11-14,22,24,34H,1-3,5,7,9-10,15-21H2,(H,30,33)
InChIKeyPFSLUBHJEACHCY-UHFFFAOYSA-N
XLogP3.96
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.71
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(oxan-2-yloxy)-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 20620255
1-cyclopropyl-4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 159727464
4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
4-[4-[3-[3-(4-cyanophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 20620470
1-cyclopropyl-N-hydroxy-4-[4-[(Z)-6-hydroxyimino-5-(4-methoxyphenyl)hex-4-enoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159120672
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
4-[4-[3-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20780929
N-hydroxy-1-(2-methoxyethyl)-2-methyl-4-[4-[3-(3-thiophen-2-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 142895648
N-hydroxy-4-[4-[2-[4-(3-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[4-(4-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(3-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157108031
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 162334808

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 20620249) is 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(N4CCCCC4)c3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is PFSLUBHJEACHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O5S/c33-28(30-34)29(15-19-32(20-16-29)24-9-10-24)38(35,36)27-13-11-26(12-14-27)37-21-5-7-23-6-4-8-25(22-23)31-17-2-1-3-18-31/h4,6,8,11-14,22,24,34H,1-3,5,7,9-10,15-21H2,(H,30,33).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 541.71 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20620249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).