4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one

C18H25N5O3S — CID 121117389

IUPAC4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C18H25N5O3S/c1-21-18(24)23(15-5-2-3-6-15)17(20-21)14-8-11-22(12-9-14)27(25,26)16-7-4-10-19-13-16/h4,7,10,13-15H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyWOHUBTTUCFCZFR-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.66
Rot. Bonds4

About 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one

4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one (PubChem CID 121117389) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one
PubChem CID121117389
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C18H25N5O3S/c1-21-18(24)23(15-5-2-3-6-15)17(20-21)14-8-11-22(12-9-14)27(25,26)16-7-4-10-19-13-16/h4,7,10,13-15H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyWOHUBTTUCFCZFR-UHFFFAOYSA-N
XLogP1.66
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117392
2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
CID 121117767
4-cyclopentyl-5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117404
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
4-cyclopentyl-5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117400
4-cyclopropyl-2-methyl-5-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540711
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 95828952
7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72939411
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one (CID 121117389) is 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one is Cn1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one?
The InChIKey is WOHUBTTUCFCZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-21-18(24)23(15-5-2-3-6-15)17(20-21)14-8-11-22(12-9-14)27(25,26)16-7-4-10-19-13-16/h4,7,10,13-15H,2-3,5-6,8-9,11-12H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one has a molecular weight of 391.50 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121117389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).