1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine

C20H25ClN4O2S — CID 9282287

IUPAC1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-17-5-4-6-18(15-17)23-11-13-24(14-12-23)20-8-7-19(16-22-20)28(26,27)25-9-2-1-3-10-25/h4-8,15-16H,1-3,9-14H2
InChIKeyMOJNFTFEEDSMBS-UHFFFAOYSA-N
MW420.97 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine

1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine (PubChem CID 9282287) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
PubChem CID9282287
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-17-5-4-6-18(15-17)23-11-13-24(14-12-23)20-8-7-19(16-22-20)28(26,27)25-9-2-1-3-10-25/h4-8,15-16H,1-3,9-14H2
InChIKeyMOJNFTFEEDSMBS-UHFFFAOYSA-N
XLogP3.24
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine 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-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 26696213
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
1-(3-chlorophenyl)azonane
CID 145391535
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine (CID 9282287) is 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine is O=S(=O)(c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)N1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The InChIKey is MOJNFTFEEDSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c21-17-5-4-6-18(15-17)23-11-13-24(14-12-23)20-8-7-19(16-22-20)28(26,27)25-9-2-1-3-10-25/h4-8,15-16H,1-3,9-14H2.
What are the key properties of 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine?
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine has a molecular weight of 420.97 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine is sourced from PubChem (CID 9282287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).