2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide

C21H37N5O2 — CID 121118006

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C
InChIInChI=1S/C21H37N5O2/c1-15(2)25(16(3)4)19(27)14-24-12-10-17(11-13-24)20-22-23(5)21(28)26(20)18-8-6-7-9-18/h15-18H,6-14H2,1-5H3
InChIKeyXOPPAKQDISVJCE-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 121118006) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID121118006
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C
InChIInChI=1S/C21H37N5O2/c1-15(2)25(16(3)4)19(27)14-24-12-10-17(11-13-24)20-22-23(5)21(28)26(20)18-8-6-7-9-18/h15-18H,6-14H2,1-5H3
InChIKeyXOPPAKQDISVJCE-UHFFFAOYSA-N
XLogP2.52
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 121118006) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is XOPPAKQDISVJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-15(2)25(16(3)4)19(27)14-24-12-10-17(11-13-24)20-22-23(5)21(28)26(20)18-8-6-7-9-18/h15-18H,6-14H2,1-5H3.
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 391.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 121118006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).