cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone

C19H28N4O3S — CID 36727474

IUPACcyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C19H28N4O3S/c24-19(16-5-1-2-6-16)22-13-11-21(12-14-22)18-8-7-17(15-20-18)27(25,26)23-9-3-4-10-23/h7-8,15-16H,1-6,9-14H2
InChIKeyPTJOYMBLDKBCCJ-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.70
Rot. Bonds4

About cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone

cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 36727474) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID36727474
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Namecyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C19H28N4O3S/c24-19(16-5-1-2-6-16)22-13-11-21(12-14-22)18-8-7-17(15-20-18)27(25,26)23-9-3-4-10-23/h7-8,15-16H,1-6,9-14H2
InChIKeyPTJOYMBLDKBCCJ-UHFFFAOYSA-N
XLogP1.70
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone 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-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133354493

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone (CID 36727474) is cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is PTJOYMBLDKBCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c24-19(16-5-1-2-6-16)22-13-11-21(12-14-22)18-8-7-17(15-20-18)27(25,26)23-9-3-4-10-23/h7-8,15-16H,1-6,9-14H2.
What are the key properties of cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 392.53 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36727474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).