2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

C21H33N5O — CID 95856719

About 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95856719) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 95856719
• Molecular Formula: C21H33N5O
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.27
• IUPAC Name: 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
• SMILES: CC[C@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1
• InChI: InChI=1S/C21H33N5O/c1-2-18-7-3-4-10-25(18)15-20(27)26-11-5-6-16(14-26)21-23-13-17-12-22-9-8-19(17)24-21/h13,16,18,22H,2-12,14-15H2,1H3/t16-,18-/m0/s1
• InChIKey: KWAUXDRUIIMFQG-WMZOPIPTSA-N
• XLogP: 2.09
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (CID 95856719) is 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is CC[C@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1.

What is the InChIKey of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?

The InChIKey is KWAUXDRUIIMFQG-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H33N5O/c1-2-18-7-3-4-10-25(18)15-20(27)26-11-5-6-16(14-26)21-23-13-17-12-22-9-8-19(17)24-21/h13,16,18,22H,2-12,14-15H2,1H3/t16-,18-/m0/s1.

What are the key properties of 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?

2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-ethylpiperidin-1-yl]-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95856719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).