(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C17H21N5O4 — CID 136748664

About (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 136748664) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 136748664
• Molecular Formula: C17H21N5O4
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.16
• IUPAC Name: (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
• SMILES: COc1cccc(CN2C[C@H](C(=O)NCc3n[nH]c(=O)[nH]3)CCC2=O)c1
• InChI: InChI=1S/C17H21N5O4/c1-26-13-4-2-3-11(7-13)9-22-10-12(5-6-15(22)23)16(24)18-8-14-19-17(25)21-20-14/h2-4,7,12H,5-6,8-10H2,1H3,(H,18,24)(H2,19,20,21,25)/t12-/m1/s1
• InChIKey: QGXJTPCXCJOJLE-GFCCVEGCSA-N
• XLogP: 0.16
• TPSA: 120.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 136748664) is (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is COc1cccc(CN2C[C@H](C(=O)NCc3n[nH]c(=O)[nH]3)CCC2=O)c1.

What is the InChIKey of (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?

The InChIKey is QGXJTPCXCJOJLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-26-13-4-2-3-11(7-13)9-22-10-12(5-6-15(22)23)16(24)18-8-14-19-17(25)21-20-14/h2-4,7,12H,5-6,8-10H2,1H3,(H,18,24)(H2,19,20,21,25)/t12-/m1/s1.

What are the key properties of (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?

(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136748664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).