1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid

C21H33N3O7S — CID 90483664

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H31N3O3S.C2H2O4/c1-3-10-20-11-8-17(9-12-20)21-13-15-22(16-14-21)26(23,24)19-6-4-18(25-2)5-7-19;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAZFQESDMEUOBLN-UHFFFAOYSA-N
MW471.58 g/mol
LogP1.03
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid

1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid (PubChem CID 90483664) has the molecular formula C21H33N3O7S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
PubChem CID90483664
Molecular FormulaC21H33N3O7S
Molecular Weight471.58 g/mol
Exact Mass471.20
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H31N3O3S.C2H2O4/c1-3-10-20-11-8-17(9-12-20)21-13-15-22(16-14-21)26(23,24)19-6-4-18(25-2)5-7-19;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAZFQESDMEUOBLN-UHFFFAOYSA-N
XLogP1.03
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 9293273
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid (CID 90483664) is 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid is CCCN1CCC(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The InChIKey is AZFQESDMEUOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.C2H2O4/c1-3-10-20-11-8-17(9-12-20)21-13-15-22(16-14-21)26(23,24)19-6-4-18(25-2)5-7-19;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid has a molecular weight of 471.58 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid is sourced from PubChem (CID 90483664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).