(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide

C24H30FN3O3 — CID 124799837

About (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide

(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide (PubChem CID 124799837) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
• PubChem CID: 124799837
• Molecular Formula: C24H30FN3O3
• Molecular Weight: 427.52 g/mol
• Exact Mass: 427.23
• IUPAC Name: (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
• SMILES: COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F
• InChI: InChI=1S/C24H30FN3O3/c1-30-20-10-4-7-17(22(20)25)15-28-13-5-8-18(16-28)23(19-9-2-3-12-26-19)27-24(29)21-11-6-14-31-21/h2-4,7,9-10,12,18,21,23H,5-6,8,11,13-16H2,1H3,(H,27,29)/t18-,21+,23+/m0/s1
• InChIKey: ROFWNZLTZRLYSD-QTGUNEKASA-N
• XLogP: 3.48
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.52
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide (CID 124799837) is (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide is COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F.

What is the InChIKey of (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?

The InChIKey is ROFWNZLTZRLYSD-QTGUNEKASA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-30-20-10-4-7-17(22(20)25)15-28-13-5-8-18(16-28)23(19-9-2-3-12-26-19)27-24(29)21-11-6-14-31-21/h2-4,7,9-10,12,18,21,23H,5-6,8,11,13-16H2,1H3,(H,27,29)/t18-,21+,23+/m0/s1.

What are the key properties of (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?

(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide is sourced from PubChem (CID 124799837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).