(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H33N5O — CID 96573997

About (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96573997) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 96573997
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(NCCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C24H33N5O/c30-24(27-12-7-20-4-1-10-25-16-20)22-6-3-13-29(19-22)23-8-14-28(15-9-23)18-21-5-2-11-26-17-21/h1-2,4-5,10-11,16-17,22-23H,3,6-9,12-15,18-19H2,(H,27,30)/t22-/m1/s1
• InChIKey: GUDKWFVPXYOQEX-JOCHJYFZSA-N
• XLogP: 2.51
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96573997) is (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1.

What is the InChIKey of (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is GUDKWFVPXYOQEX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N5O/c30-24(27-12-7-20-4-1-10-25-16-20)22-6-3-13-29(19-22)23-8-14-28(15-9-23)18-21-5-2-11-26-17-21/h1-2,4-5,10-11,16-17,22-23H,3,6-9,12-15,18-19H2,(H,27,30)/t22-/m1/s1.

What are the key properties of (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96573997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).