4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide

C23H37N3O2 — CID 69361135

About 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide

4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 69361135) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 69361135
• Molecular Formula: C23H37N3O2
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.29
• IUPAC Name: 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: CCCN(C1CCN(C(=O)NC(C)C)CC1)C1CCc2ccc(OC)cc2C1
• InChI: InChI=1S/C23H37N3O2/c1-5-12-26(20-10-13-25(14-11-20)23(27)24-17(2)3)21-8-6-18-7-9-22(28-4)16-19(18)15-21/h7,9,16-17,20-21H,5-6,8,10-15H2,1-4H3,(H,24,27)
• InChIKey: GQGWTEJPAIMNAX-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide (CID 69361135) is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide is CCCN(C1CCN(C(=O)NC(C)C)CC1)C1CCc2ccc(OC)cc2C1.

What is the InChIKey of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is GQGWTEJPAIMNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-5-12-26(20-10-13-25(14-11-20)23(27)24-17(2)3)21-8-6-18-7-9-22(28-4)16-19(18)15-21/h7,9,16-17,20-21H,5-6,8,10-15H2,1-4H3,(H,24,27).

What are the key properties of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide?

4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 69361135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).