3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C27H34N4O2 — CID 92621815

About 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 92621815) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 92621815
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: O=C(CCN1CCc2ccccc21)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1
• InChI: InChI=1S/C27H34N4O2/c32-26(13-19-29-16-12-22-6-2-3-7-25(22)29)30-17-10-21(11-18-30)24-9-8-23(20-28-24)27(33)31-14-4-1-5-15-31/h2-3,6-9,20-21H,1,4-5,10-19H2
• InChIKey: BKHDISKFWPJSTC-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 92621815) is 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is O=C(CCN1CCc2ccccc21)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1.

What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is BKHDISKFWPJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c32-26(13-19-29-16-12-22-6-2-3-7-25(22)29)30-17-10-21(11-18-30)24-9-8-23(20-28-24)27(33)31-14-4-1-5-15-31/h2-3,6-9,20-21H,1,4-5,10-19H2.

What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 446.60 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92621815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).