(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide

C20H30FN5O7S2 — CID 18727150

IUPAC(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CN(S(=O)(=O)N2CCOCC2)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5O7S2/c21-18-3-1-16(2-4-18)17-5-7-23(8-6-17)35(31,32)26-10-9-25(15-19(26)20(27)22-28)34(29,30)24-11-13-33-14-12-24/h1-4,17,19,28H,5-15H2,(H,22,27)/t19-/m1/s1
InChIKeyNORUZOXLVJRPIK-LJQANCHMSA-N
MW535.62 g/mol
LogP-0.68
Rot. Bonds6

About (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide

(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide (PubChem CID 18727150) has the molecular formula C20H30FN5O7S2 and a molecular weight of 535.62 g/mol. Its IUPAC name is (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
PubChem CID18727150
Molecular FormulaC20H30FN5O7S2
Molecular Weight535.62 g/mol
Exact Mass535.16
IUPAC Name(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CN(S(=O)(=O)N2CCOCC2)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5O7S2/c21-18-3-1-16(2-4-18)17-5-7-23(8-6-17)35(31,32)26-10-9-25(15-19(26)20(27)22-28)34(29,30)24-11-13-33-14-12-24/h1-4,17,19,28H,5-15H2,(H,22,27)/t19-/m1/s1
InChIKeyNORUZOXLVJRPIK-LJQANCHMSA-N
XLogP-0.68
TPSA139.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

(2R)-4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 139899972
4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 15486975
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 18387690
2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95845141
[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 170425816
(3R)-4-[4-(4-fluorophenyl)piperidin-1-yl]oxy-3-N-hydroxy-1-N,1-N-dimethylpiperazine-1,3-dicarboxamide;sulfur monoxide
CID 159948771
N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552799
4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide
CID 22615577
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
sodium;(2R)-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide;hydride
CID 173236124

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide (CID 18727150) is (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide is O=C(NO)[C@H]1CN(S(=O)(=O)N2CCOCC2)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is NORUZOXLVJRPIK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30FN5O7S2/c21-18-3-1-16(2-4-18)17-5-7-23(8-6-17)35(31,32)26-10-9-25(15-19(26)20(27)22-28)34(29,30)24-11-13-33-14-12-24/h1-4,17,19,28H,5-15H2,(H,22,27)/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide?
(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 535.62 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 18727150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).