4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide

C23H33N3O2 — CID 87000226

About 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide

4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 87000226) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide
• PubChem CID: 87000226
• Molecular Formula: C23H33N3O2
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.26
• IUPAC Name: 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide
• SMILES: CC(NC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C23H33N3O2/c1-17(20-9-8-18-6-2-3-7-21(18)16-20)24-23(28)26-14-10-19(11-15-26)22(27)25-12-4-5-13-25/h8-9,16-17,19H,2-7,10-15H2,1H3,(H,24,28)
• InChIKey: XVTILGOBWXXDDM-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide?

The IUPAC name of 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide (CID 87000226) is 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide?

The canonical SMILES for 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide?

The InChIKey is XVTILGOBWXXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17(20-9-8-18-6-2-3-7-21(18)16-20)24-23(28)26-14-10-19(11-15-26)22(27)25-12-4-5-13-25/h8-9,16-17,19H,2-7,10-15H2,1H3,(H,24,28).

What are the key properties of 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide?

4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 87000226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).