N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride

C30H33ClN4O7S — CID 158898130

IUPACN-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=CCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccc5ccccc45)no3)cc2)CC1
InChIInChI=1S/C30H32N4O7S.ClH/c35-20-5-17-34-18-15-30(16-19-34,29(36)32-37)42(38,39)24-13-11-23(12-14-24)40-21-4-10-27-31-28(33-41-27)26-9-3-7-22-6-1-2-8-25(22)26;/h1-3,6-9,11-14,20,37H,4-5,10,15-19,21H2,(H,32,36);1H
InChIKeyOMVALTROVKWRFK-UHFFFAOYSA-N
MW629.14 g/mol
LogP4.03
Rot. Bonds12

About N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 158898130) has the molecular formula C30H33ClN4O7S and a molecular weight of 629.14 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID158898130
Molecular FormulaC30H33ClN4O7S
Molecular Weight629.14 g/mol
Exact Mass628.18
IUPAC NameN-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=CCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccc5ccccc45)no3)cc2)CC1
InChIInChI=1S/C30H32N4O7S.ClH/c35-20-5-17-34-18-15-30(16-19-34,29(36)32-37)42(38,39)24-13-11-23(12-14-24)40-21-4-10-27-31-28(33-41-27)26-9-3-7-22-6-1-2-8-25(22)26;/h1-3,6-9,11-14,20,37H,4-5,10,15-19,21H2,(H,32,36);1H
InChIKeyOMVALTROVKWRFK-UHFFFAOYSA-N
XLogP4.03
TPSA151.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.14
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169424251
4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620465
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N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169425374
4-[4-[3-[3-(2,6-difluoro-1-propan-2-ylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620425
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CID 10207036
4-[4-[3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620590
1-ethyl-N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
CID 58623126
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
1-cyclopropyl-N-hydroxy-4-[4-[(Z)-6-hydroxyimino-5-(4-methoxyphenyl)hex-4-enoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159120672
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride (CID 158898130) is N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride is Cl.O=CCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccc5ccccc45)no3)cc2)CC1.
What is the InChIKey of N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OMVALTROVKWRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O7S.ClH/c35-20-5-17-34-18-15-30(16-19-34,29(36)32-37)42(38,39)24-13-11-23(12-14-24)40-21-4-10-27-31-28(33-41-27)26-9-3-7-22-6-1-2-8-25(22)26;/h1-3,6-9,11-14,20,37H,4-5,10,15-19,21H2,(H,32,36);1H.
What are the key properties of N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 629.14 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 158898130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).