N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide

C14H25N5O2 — CID 72849671

IUPACN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C14H25N5O2/c1-18-10-4-3-5-11(18)6-7-13(20)15-9-8-12-16-17-14(21)19(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21)
InChIKeyKKWNBYKXAGDUDF-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.03
Rot. Bonds6

About N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72849671) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72849671
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C14H25N5O2/c1-18-10-4-3-5-11(18)6-7-13(20)15-9-8-12-16-17-14(21)19(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21)
InChIKeyKKWNBYKXAGDUDF-UHFFFAOYSA-N
XLogP0.03
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72849671) is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCCc1n[nH]c(=O)n1C.
What is the InChIKey of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is KKWNBYKXAGDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-18-10-4-3-5-11(18)6-7-13(20)15-9-8-12-16-17-14(21)19(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21).
What are the key properties of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 295.39 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).