3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C24H35N5O2 — CID 42194864

About 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42194864) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 42194864
• Molecular Formula: C24H35N5O2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.28
• IUPAC Name: 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: CCc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1
• InChI: InChI=1S/C24H35N5O2/c1-3-22-26-14-18-28(22)17-12-24(31)29-15-6-7-20(19-29)9-10-23(30)27(2)16-11-21-8-4-5-13-25-21/h4-5,8,13-14,18,20H,3,6-7,9-12,15-17,19H2,1-2H3/t20-/m0/s1
• InChIKey: BCQWTNUIEHDIRT-FQEVSTJZSA-N
• XLogP: 2.95
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 42194864) is 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CCc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1.

What is the InChIKey of 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is BCQWTNUIEHDIRT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-3-22-26-14-18-28(22)17-12-24(31)29-15-6-7-20(19-29)9-10-23(30)27(2)16-11-21-8-4-5-13-25-21/h4-5,8,13-14,18,20H,3,6-7,9-12,15-17,19H2,1-2H3/t20-/m0/s1.

What are the key properties of 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 425.58 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42194864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).