3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C25H41N3OS — CID 25456108

About 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 25456108) has the molecular formula C25H41N3OS and a molecular weight of 431.69 g/mol. Its IUPAC name is 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• PubChem CID: 25456108
• Molecular Formula: C25H41N3OS
• Molecular Weight: 431.69 g/mol
• Exact Mass: 431.30
• IUPAC Name: 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• SMILES: CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(C4CCCC4)s3)C2)CC1
• InChI: InChI=1S/C25H41N3OS/c1-26-16-13-22(14-17-26)27(2)25(29)12-9-20-6-5-15-28(18-20)19-23-10-11-24(30-23)21-7-3-4-8-21/h10-11,20-22H,3-9,12-19H2,1-2H3/t20-/m0/s1
• InChIKey: MQQVIKINQFBGOF-FQEVSTJZSA-N
• XLogP: 4.95
• TPSA: 26.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.69
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?

The IUPAC name of 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 25456108) is 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

What is the SMILES notation for 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?

The canonical SMILES for 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(C4CCCC4)s3)C2)CC1.

What is the InChIKey of 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?

The InChIKey is MQQVIKINQFBGOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H41N3OS/c1-26-16-13-22(14-17-26)27(2)25(29)12-9-20-6-5-15-28(18-20)19-23-10-11-24(30-23)21-7-3-4-8-21/h10-11,20-22H,3-9,12-19H2,1-2H3/t20-/m0/s1.

What are the key properties of 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?

3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 431.69 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 25456108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).