1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

C22H26N2O5S — CID 11496422

IUPAC1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1
InChIInChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)
InChIKeyWRQYAPDRSRSBNV-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.00
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 11496422) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID11496422
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1
InChIInChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)
InChIKeyWRQYAPDRSRSBNV-UHFFFAOYSA-N
XLogP3.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 11496422) is 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WRQYAPDRSRSBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25).
What are the key properties of 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11496422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).