1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H26N4O3 — CID 120798482

About 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 120798482) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 120798482
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)C2CCCN(C(=O)[C@@H]3CC[C@H](CN)O3)C2)n1
• InChI: InChI=1S/C18H26N4O3/c1-12-4-2-6-16(20-12)21-17(23)13-5-3-9-22(11-13)18(24)15-8-7-14(10-19)25-15/h2,4,6,13-15H,3,5,7-11,19H2,1H3,(H,20,21,23)/t13?,14-,15+/m1/s1
• InChIKey: KQZGRZHOGDCTBK-DMJDIKPUSA-N
• XLogP: 1.07
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 120798482) is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)[C@@H]3CC[C@H](CN)O3)C2)n1.

What is the InChIKey of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is KQZGRZHOGDCTBK-DMJDIKPUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-4-2-6-16(20-12)21-17(23)13-5-3-9-22(11-13)18(24)15-8-7-14(10-19)25-15/h2,4,6,13-15H,3,5,7-11,19H2,1H3,(H,20,21,23)/t13?,14-,15+/m1/s1.

What are the key properties of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 120798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).