2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide

C20H25N3O4S — CID 90813340

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CC(=O)N(N)c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-9-11-19(12-10-18)28(25,26)22-13-5-6-16(15-22)14-20(24)23(21)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15,21H2,1H3
InChIKeyDUVRTQGHDAVUAN-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.39
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide

2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide (PubChem CID 90813340) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide
PubChem CID90813340
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CC(=O)N(N)c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-9-11-19(12-10-18)28(25,26)22-13-5-6-16(15-22)14-20(24)23(21)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15,21H2,1H3
InChIKeyDUVRTQGHDAVUAN-UHFFFAOYSA-N
XLogP2.39
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide (CID 90813340) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide is COc1ccc(S(=O)(=O)N2CCCC(CC(=O)N(N)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide?
The InChIKey is DUVRTQGHDAVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-18-9-11-19(12-10-18)28(25,26)22-13-5-6-16(15-22)14-20(24)23(21)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15,21H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide has a molecular weight of 403.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide is sourced from PubChem (CID 90813340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).