N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide

C22H25N5O2 — CID 92576515

About N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide

N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 92576515) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 92576515
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
• SMILES: O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1
• InChI: InChI=1S/C22H25N5O2/c28-21(10-15-11-23-20-6-2-1-5-18(15)20)25-17-4-3-8-27(13-17)22-24-12-16-14-29-9-7-19(16)26-22/h1-2,5-6,11-12,17,23H,3-4,7-10,13-14H2,(H,25,28)/t17-/m1/s1
• InChIKey: BQWPLZPXJBGGMN-QGZVFWFLSA-N
• XLogP: 2.36
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide (CID 92576515) is N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1.

What is the InChIKey of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide?

The InChIKey is BQWPLZPXJBGGMN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(10-15-11-23-20-6-2-1-5-18(15)20)25-17-4-3-8-27(13-17)22-24-12-16-14-29-9-7-19(16)26-22/h1-2,5-6,11-12,17,23H,3-4,7-10,13-14H2,(H,25,28)/t17-/m1/s1.

What are the key properties of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide?

N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 92576515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).