1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine

C22H29N3O3S — CID 58817434

IUPAC1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccccc2OC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O3S/c1-23-14-16-24(17-15-23)21-11-5-6-12-22(21)28-19-8-7-13-25(18-19)29(26,27)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3
InChIKeyMWZYODMXSSXQKS-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine

1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine (PubChem CID 58817434) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine
PubChem CID58817434
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccccc2OC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O3S/c1-23-14-16-24(17-15-23)21-11-5-6-12-22(21)28-19-8-7-13-25(18-19)29(26,27)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3
InChIKeyMWZYODMXSSXQKS-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817416
1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817405
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26687371
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine (CID 58817434) is 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine is CN1CCN(c2ccccc2OC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1.
What is the InChIKey of 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine?
The InChIKey is MWZYODMXSSXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-23-14-16-24(17-15-23)21-11-5-6-12-22(21)28-19-8-7-13-25(18-19)29(26,27)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3.
What are the key properties of 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine?
1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine has a molecular weight of 415.56 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine is sourced from PubChem (CID 58817434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).