1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

C33H45N5O5S — CID 22485381

IUPAC1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)CC2)c1C
InChIInChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
InChIKeyHWZVYNMATDDRGV-UHFFFAOYSA-N
MW623.82 g/mol
LogP3.14
Rot. Bonds7

About 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 22485381) has the molecular formula C33H45N5O5S and a molecular weight of 623.82 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID22485381
Molecular FormulaC33H45N5O5S
Molecular Weight623.82 g/mol
Exact Mass623.31
IUPAC Name1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)CC2)c1C
InChIInChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
InChIKeyHWZVYNMATDDRGV-UHFFFAOYSA-N
XLogP3.14
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.82
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 22485381) is 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)CC2)c1C.
What is the InChIKey of 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is HWZVYNMATDDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40).
What are the key properties of 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 623.82 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 22485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).