1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

C23H27N3O6S — CID 22485328

IUPAC1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C23H27N3O6S/c27-22(25-28)23(9-11-26(12-10-23)18-4-5-18)33(29,30)19-6-1-16(2-7-19)24-17-3-8-20-21(15-17)32-14-13-31-20/h1-3,6-8,15,18,24,28H,4-5,9-14H2,(H,25,27)
InChIKeyLBGRZQSJJFCEKH-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.48
Rot. Bonds6

About 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 22485328) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID22485328
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C23H27N3O6S/c27-22(25-28)23(9-11-26(12-10-23)18-4-5-18)33(29,30)19-6-1-16(2-7-19)24-17-3-8-20-21(15-17)32-14-13-31-20/h1-3,6-8,15,18,24,28H,4-5,9-14H2,(H,25,27)
InChIKeyLBGRZQSJJFCEKH-UHFFFAOYSA-N
XLogP2.48
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.48
H-Bond Donors ≤ 53
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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Related Compounds

1-acetyl-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 169429684
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 20735232
1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10481095
1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 20620249
4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 169424009
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
1-cyclopropyl-N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 11656495
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
1-cyclopropyl-N-hydroxy-4-[4-[(Z)-6-hydroxyimino-5-(4-methoxyphenyl)hex-4-enoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159120672
methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
CID 112989260
4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 46380373

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 22485328) is 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is LBGRZQSJJFCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c27-22(25-28)23(9-11-26(12-10-23)18-4-5-18)33(29,30)19-6-1-16(2-7-19)24-17-3-8-20-21(15-17)32-14-13-31-20/h1-3,6-8,15,18,24,28H,4-5,9-14H2,(H,25,27).
What are the key properties of 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 22485328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).