(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

C21H26N4O3S — CID 46602664

IUPAC(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3S/c26-21(24-15-13-23(14-16-24)19-5-2-1-3-6-19)18-8-11-25(12-9-18)29(27,28)20-7-4-10-22-17-20/h1-7,10,17-18H,8-9,11-16H2
InChIKeyWYJWZYUSTZFUSI-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.83
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 46602664) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
PubChem CID46602664
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3S/c26-21(24-15-13-23(14-16-24)19-5-2-1-3-6-19)18-8-11-25(12-9-18)29(27,28)20-7-4-10-22-17-20/h1-7,10,17-18H,8-9,11-16H2
InChIKeyWYJWZYUSTZFUSI-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

[4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602463
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 30894608
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
3-fluoro-1-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529795
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 30885823
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (CID 46602664) is (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is WYJWZYUSTZFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-21(24-15-13-23(14-16-24)19-5-2-1-3-6-19)18-8-11-25(12-9-18)29(27,28)20-7-4-10-22-17-20/h1-7,10,17-18H,8-9,11-16H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-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-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 46602664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).