1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride

C23H34Cl2F4N4O4S — CID 162321745

IUPAC1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)c(F)c3)CC2)CCN(C2CC2)CC1
InChIInChI=1S/C23H32F4N4O4S.2ClH/c24-20-16-19(4-3-17(20)2-1-7-23(25,26)27)30-12-14-31(15-13-30)36(34,35)22(21(32)28-33)8-10-29(11-9-22)18-5-6-18;;/h3-4,16,18,33H,1-2,5-15H2,(H,28,32);2*1H
InChIKeyFLOLMNZGFSRPQC-UHFFFAOYSA-N
MW609.51 g/mol
LogP3.51
Rot. Bonds8

About 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride

1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 162321745) has the molecular formula C23H34Cl2F4N4O4S and a molecular weight of 609.51 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
PubChem CID162321745
Molecular FormulaC23H34Cl2F4N4O4S
Molecular Weight609.51 g/mol
Exact Mass608.16
IUPAC Name1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)c(F)c3)CC2)CCN(C2CC2)CC1
InChIInChI=1S/C23H32F4N4O4S.2ClH/c24-20-16-19(4-3-17(20)2-1-7-23(25,26)27)30-12-14-31(15-13-30)36(34,35)22(21(32)28-33)8-10-29(11-9-22)18-5-6-18;;/h3-4,16,18,33H,1-2,5-15H2,(H,28,32);2*1H
InChIKeyFLOLMNZGFSRPQC-UHFFFAOYSA-N
XLogP3.51
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride (CID 162321745) is 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)c(F)c3)CC2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is FLOLMNZGFSRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4N4O4S.2ClH/c24-20-16-19(4-3-17(20)2-1-7-23(25,26)27)30-12-14-31(15-13-30)36(34,35)22(21(32)28-33)8-10-29(11-9-22)18-5-6-18;;/h3-4,16,18,33H,1-2,5-15H2,(H,28,32);2*1H.
What are the key properties of 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride?
1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 609.51 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 162321745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).