4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide

C18H24ClN5O6S — CID 22615577

IUPAC4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide
SMILESNC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C18H24ClN5O6S/c19-14-3-1-12(2-4-14)16(25)13-5-7-23(8-6-13)31(29,30)24-10-9-22(18(20)27)11-15(24)17(26)21-28/h1-4,13,15,28H,5-11H2,(H2,20,27)(H,21,26)
InChIKeyZZLWUOCMYZABGK-UHFFFAOYSA-N
MW473.94 g/mol
LogP0.05
Rot. Bonds5

About 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide

4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide (PubChem CID 22615577) has the molecular formula C18H24ClN5O6S and a molecular weight of 473.94 g/mol. Its IUPAC name is 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide
PubChem CID22615577
Molecular FormulaC18H24ClN5O6S
Molecular Weight473.94 g/mol
Exact Mass473.11
IUPAC Name4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide
SMILESNC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C18H24ClN5O6S/c19-14-3-1-12(2-4-14)16(25)13-5-7-23(8-6-13)31(29,30)24-10-9-22(18(20)27)11-15(24)17(26)21-28/h1-4,13,15,28H,5-11H2,(H2,20,27)(H,21,26)
InChIKeyZZLWUOCMYZABGK-UHFFFAOYSA-N
XLogP0.05
TPSA153.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 50.05
H-Bond Donors ≤ 53
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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Related Compounds

(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide
CID 57145851
tert-butyl (3R)-4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate
CID 18727276
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 22615791
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120987051
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide?
The IUPAC name of 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide (CID 22615577) is 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide.
What is the SMILES notation for 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide?
The canonical SMILES for 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide is NC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C(C(=O)NO)C1.
What is the InChIKey of 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide?
The InChIKey is ZZLWUOCMYZABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O6S/c19-14-3-1-12(2-4-14)16(25)13-5-7-23(8-6-13)31(29,30)24-10-9-22(18(20)27)11-15(24)17(26)21-28/h1-4,13,15,28H,5-11H2,(H2,20,27)(H,21,26).
What are the key properties of 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide?
4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide has a molecular weight of 473.94 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide is sourced from PubChem (CID 22615577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).