N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide

C19H30N4O2 — CID 95978600

About N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide

N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95978600) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 95978600
• Molecular Formula: C19H30N4O2
• Molecular Weight: 346.48 g/mol
• Exact Mass: 346.24
• IUPAC Name: N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CCc1nccn1[C@H]1CCCN(C(=O)[C@H](NC(C)=O)C2CCCC2)C1
• InChI: InChI=1S/C19H30N4O2/c1-3-17-20-10-12-23(17)16-9-6-11-22(13-16)19(25)18(21-14(2)24)15-7-4-5-8-15/h10,12,15-16,18H,3-9,11,13H2,1-2H3,(H,21,24)/t16-,18+/m0/s1
• InChIKey: PEEDLPWXMULGMV-FUHWJXTLSA-N
• XLogP: 2.30
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide (CID 95978600) is N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide is CCc1nccn1[C@H]1CCCN(C(=O)[C@H](NC(C)=O)C2CCCC2)C1.

What is the InChIKey of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is PEEDLPWXMULGMV-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-17-20-10-12-23(17)16-9-6-11-22(13-16)19(25)18(21-14(2)24)15-7-4-5-8-15/h10,12,15-16,18H,3-9,11,13H2,1-2H3,(H,21,24)/t16-,18+/m0/s1.

What are the key properties of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?

N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95978600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).