1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine

C14H22N4O2S — CID 120763826

IUPAC1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(N1CCCCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H22N4O2S/c19-21(20,17-8-2-1-3-9-17)18-10-7-16-12-14(18)13-5-4-6-15-11-13/h4-6,11,14,16H,1-3,7-10,12H2
InChIKeyRBBJAMLDTDHPOY-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.76
Rot. Bonds3

About 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine

1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763826) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763826
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(N1CCCCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H22N4O2S/c19-21(20,17-8-2-1-3-9-17)18-10-7-16-12-14(18)13-5-4-6-15-11-13/h4-6,11,14,16H,1-3,7-10,12H2
InChIKeyRBBJAMLDTDHPOY-UHFFFAOYSA-N
XLogP0.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
CID 120763667
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763847
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine (CID 120763826) is 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine is O=S(=O)(N1CCCCC1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is RBBJAMLDTDHPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20,17-8-2-1-3-9-17)18-10-7-16-12-14(18)13-5-4-6-15-11-13/h4-6,11,14,16H,1-3,7-10,12H2.
What are the key properties of 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine?
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 310.42 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).