N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C17H29N5O4S — CID 121115033

IUPACN-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H29N5O4S/c1-19(27(3,25)26)12-15(23)21-10-8-13(9-11-21)16-18-20(2)17(24)22(16)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3
InChIKeyNAENUUZKHNRWRC-UHFFFAOYSA-N
MW399.52 g/mol
LogP0.29
Rot. Bonds5

About N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 121115033) has the molecular formula C17H29N5O4S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID121115033
Molecular FormulaC17H29N5O4S
Molecular Weight399.52 g/mol
Exact Mass399.19
IUPAC NameN-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H29N5O4S/c1-19(27(3,25)26)12-15(23)21-10-8-13(9-11-21)16-18-20(2)17(24)22(16)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3
InChIKeyNAENUUZKHNRWRC-UHFFFAOYSA-N
XLogP0.29
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 121115033) is N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is NAENUUZKHNRWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4S/c1-19(27(3,25)26)12-15(23)21-10-8-13(9-11-21)16-18-20(2)17(24)22(16)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 121115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).