[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

C21H26N4O3S — CID 10693131

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2
InChIKeyQEPQZXDNYIQUHH-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.83
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 10693131) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID10693131
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2
InChIKeyQEPQZXDNYIQUHH-UHFFFAOYSA-N
XLogP1.83
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine moiety, 6
CID 57339813
1-(4-Bromophenylsulphonyl)-4-[1-(4-pyridyl)piperidin-4-ylcarbonyl]piperazine
CID 10743771
[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-piperidine-1-sulfonyl]-acetic acid
CID 44268313
(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
[1-[(6-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705316
[1-[(6-Chloro-5-methyl-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705483
[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 2710694
N-(4-{[4-(4-pyridylmethyl)piperazino]sulfonyl}phenyl)acetamide
CID 1341058
1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2976301
3-(Benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3233890
9-(Benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3234057
1-(4-Chlorophenyl)-4-{[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3236518

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (CID 10693131) is [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is QEPQZXDNYIQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 414.53 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 10693131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).