4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

C20H29N5O3 — CID 50955257

IUPAC4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCCn1c(CC2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)nn(C)c1=O
InChIInChI=1S/C20H29N5O3/c1-5-25-18(22-23(3)20(25)27)13-15-8-10-24(11-9-15)19(26)21-16-12-14(2)6-7-17(16)28-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,21,26)
InChIKeyRANONIODAAMBFW-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.41
Rot. Bonds5

About 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (PubChem CID 50955257) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
PubChem CID50955257
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCCn1c(CC2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)nn(C)c1=O
InChIInChI=1S/C20H29N5O3/c1-5-25-18(22-23(3)20(25)27)13-15-8-10-24(11-9-15)19(26)21-16-12-14(2)6-7-17(16)28-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,21,26)
InChIKeyRANONIODAAMBFW-UHFFFAOYSA-N
XLogP2.41
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (CID 50955257) is 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is CCn1c(CC2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)nn(C)c1=O.
What is the InChIKey of 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The InChIKey is RANONIODAAMBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-5-25-18(22-23(3)20(25)27)13-15-8-10-24(11-9-15)19(26)21-16-12-14(2)6-7-17(16)28-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,21,26).
What are the key properties of 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 50955257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).