N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C20H34N4O2 — CID 154579004

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 154579004) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
• PubChem CID: 154579004
• Molecular Formula: C20H34N4O2
• Molecular Weight: 362.52 g/mol
• Exact Mass: 362.27
• IUPAC Name: N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
• SMILES: CCCn1nc(CCC(=O)NCCC2CCN(C)CC2)c2c1CCOC2
• InChI: InChI=1S/C20H34N4O2/c1-3-11-24-19-9-14-26-15-17(19)18(22-24)4-5-20(25)21-10-6-16-7-12-23(2)13-8-16/h16H,3-15H2,1-2H3,(H,21,25)
• InChIKey: WDOVPAPBQADNQY-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.52
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 154579004) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is CCCn1nc(CCC(=O)NCCC2CCN(C)CC2)c2c1CCOC2.

What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The InChIKey is WDOVPAPBQADNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-11-24-19-9-14-26-15-17(19)18(22-24)4-5-20(25)21-10-6-16-7-12-23(2)13-8-16/h16H,3-15H2,1-2H3,(H,21,25).

What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 154579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).