(2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

C23H36N4O — CID 70729622

About (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 70729622) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
• PubChem CID: 70729622
• Molecular Formula: C23H36N4O
• Molecular Weight: 384.57 g/mol
• Exact Mass: 384.29
• IUPAC Name: (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
• SMILES: CC1(C)CCCN1C(=O)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C23H36N4O/c1-23(2)10-5-13-27(23)22(28)20-7-4-12-26(18-20)21-8-14-25(15-9-21)17-19-6-3-11-24-16-19/h3,6,11,16,20-21H,4-5,7-10,12-15,17-18H2,1-2H3
• InChIKey: YDJGOTUGNIFRCP-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.57
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 70729622) is (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is CC1(C)CCCN1C(=O)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1.

What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

The InChIKey is YDJGOTUGNIFRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-23(2)10-5-13-27(23)22(28)20-7-4-12-26(18-20)21-8-14-25(15-9-21)17-19-6-3-11-24-16-19/h3,6,11,16,20-21H,4-5,7-10,12-15,17-18H2,1-2H3.

What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?

(2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 384.57 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 70729622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).