3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C19H27N5O2 — CID 120642069

IUPAC3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C19H27N5O2/c1-13(12-14-4-6-16(26-3)7-5-14)18(25)22-19-21-17(23-24(19)2)15-8-10-20-11-9-15/h4-7,13,15,20H,8-12H2,1-3H3,(H,21,22,23,25)
InChIKeyBECTZHZJIQMHNI-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.11
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120642069) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120642069
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C19H27N5O2/c1-13(12-14-4-6-16(26-3)7-5-14)18(25)22-19-21-17(23-24(19)2)15-8-10-20-11-9-15/h4-7,13,15,20H,8-12H2,1-3H3,(H,21,22,23,25)
InChIKeyBECTZHZJIQMHNI-UHFFFAOYSA-N
XLogP2.11
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120642069) is 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is COc1ccc(CC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is BECTZHZJIQMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(12-14-4-6-16(26-3)7-5-14)18(25)22-19-21-17(23-24(19)2)15-8-10-20-11-9-15/h4-7,13,15,20H,8-12H2,1-3H3,(H,21,22,23,25).
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120642069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).