2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide

C28H36N4O — CID 95795440

About 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide

2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 95795440) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
• PubChem CID: 95795440
• Molecular Formula: C28H36N4O
• Molecular Weight: 444.62 g/mol
• Exact Mass: 444.29
• IUPAC Name: 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
• SMILES: Cn1cc(CN2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21
• InChI: InChI=1S/C28H36N4O/c1-31-18-23(24-12-4-5-14-26(24)31)20-32-16-8-11-22(19-32)28(25-13-6-7-15-29-25)30-27(33)17-21-9-2-3-10-21/h4-7,12-15,18,21-22,28H,2-3,8-11,16-17,19-20H2,1H3,(H,30,33)/t22-,28-/m0/s1
• InChIKey: VRDNAAHOVQVDHB-DWACAAAGSA-N
• XLogP: 5.22
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (CID 95795440) is 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is Cn1cc(CN2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21.

What is the InChIKey of 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?

The InChIKey is VRDNAAHOVQVDHB-DWACAAAGSA-N. The full InChI is InChI=1S/C28H36N4O/c1-31-18-23(24-12-4-5-14-26(24)31)20-32-16-8-11-22(19-32)28(25-13-6-7-15-29-25)30-27(33)17-21-9-2-3-10-21/h4-7,12-15,18,21-22,28H,2-3,8-11,16-17,19-20H2,1H3,(H,30,33)/t22-,28-/m0/s1.

What are the key properties of 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?

2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 444.62 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 95795440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).