[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

C23H36N2O2 — CID 124628785

About [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 124628785) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
• PubChem CID: 124628785
• Molecular Formula: C23H36N2O2
• Molecular Weight: 372.55 g/mol
• Exact Mass: 372.28
• IUPAC Name: [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
• SMILES: C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1
• InChI: InChI=1S/C23H36N2O2/c1-15-6-16(2)14-24(13-15)21(26)20-4-3-5-25(20)22(27)23-10-17-7-18(11-23)9-19(8-17)12-23/h15-20H,3-14H2,1-2H3/t15-,16+,17?,18?,19?,20-,23?/m1/s1
• InChIKey: KHGQENNAONECTH-BCAYIWQKSA-N
• XLogP: 3.70
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.55
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?

The IUPAC name of [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 124628785) is [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.

What is the SMILES notation for [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?

The canonical SMILES for [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1.

What is the InChIKey of [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?

The InChIKey is KHGQENNAONECTH-BCAYIWQKSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-15-6-16(2)14-24(13-15)21(26)20-4-3-5-25(20)22(27)23-10-17-7-18(11-23)9-19(8-17)12-23/h15-20H,3-14H2,1-2H3/t15-,16+,17?,18?,19?,20-,23?/m1/s1.

What are the key properties of [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?

[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 372.55 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 124628785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).