(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide

C18H23ClN4O6S — CID 57145851

IUPAC(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide
SMILESO=CN1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C18H23ClN4O6S/c19-15-3-1-13(2-4-15)17(25)14-5-7-22(8-6-14)30(28,29)23-10-9-21(12-24)11-16(23)18(26)20-27/h1-4,12,14,16,27H,5-11H2,(H,20,26)/t16-/m1/s1
InChIKeyDTUWTMSHQXXDCI-MRXNPFEDSA-N
MW458.92 g/mol
LogP0.13
Rot. Bonds6

About (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide

(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide (PubChem CID 57145851) has the molecular formula C18H23ClN4O6S and a molecular weight of 458.92 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide
PubChem CID57145851
Molecular FormulaC18H23ClN4O6S
Molecular Weight458.92 g/mol
Exact Mass458.10
IUPAC Name(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide
SMILESO=CN1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C18H23ClN4O6S/c19-15-3-1-13(2-4-15)17(25)14-5-7-22(8-6-14)30(28,29)23-10-9-21(12-24)11-16(23)18(26)20-27/h1-4,12,14,16,27H,5-11H2,(H,20,26)/t16-/m1/s1
InChIKeyDTUWTMSHQXXDCI-MRXNPFEDSA-N
XLogP0.13
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-N-hydroxypiperazine-1,3-dicarboxamide
CID 22615577
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-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
(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
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
CID 89385474
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119724483
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide (CID 57145851) is (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide is O=CN1CCN(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](C(=O)NO)C1.
What is the InChIKey of (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide?
The InChIKey is DTUWTMSHQXXDCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23ClN4O6S/c19-15-3-1-13(2-4-15)17(25)14-5-7-22(8-6-14)30(28,29)23-10-9-21(12-24)11-16(23)18(26)20-27/h1-4,12,14,16,27H,5-11H2,(H,20,26)/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide?
(2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-4-formyl-N-hydroxypiperazine-2-carboxamide is sourced from PubChem (CID 57145851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).