N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C19H25N5O2 — CID 71793780

IUPACN-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1nc(C2CCN(CC(=O)NC3CC3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H25N5O2/c1-22-19(26)24(16-5-3-2-4-6-16)18(21-22)14-9-11-23(12-10-14)13-17(25)20-15-7-8-15/h2-6,14-15H,7-13H2,1H3,(H,20,25)
InChIKeyPDIOXDJBPOFPOQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.03
Rot. Bonds5

About N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 71793780) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID71793780
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1nc(C2CCN(CC(=O)NC3CC3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H25N5O2/c1-22-19(26)24(16-5-3-2-4-6-16)18(21-22)14-9-11-23(12-10-14)13-17(25)20-15-7-8-15/h2-6,14-15H,7-13H2,1H3,(H,20,25)
InChIKeyPDIOXDJBPOFPOQ-UHFFFAOYSA-N
XLogP1.03
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 71793780) is N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is Cn1nc(C2CCN(CC(=O)NC3CC3)CC2)n(-c2ccccc2)c1=O.
What is the InChIKey of N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is PDIOXDJBPOFPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-19(26)24(16-5-3-2-4-6-16)18(21-22)14-9-11-23(12-10-14)13-17(25)20-15-7-8-15/h2-6,14-15H,7-13H2,1H3,(H,20,25).
What are the key properties of N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).