N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide

C21H29N5O2 — CID 97281199

About N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide

N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide (PubChem CID 97281199) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
• PubChem CID: 97281199
• Molecular Formula: C21H29N5O2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)C(C)C
• InChI: InChI=1S/C21H29N5O2/c1-15(2)19(24-16(3)27)21(28)25-11-6-18(7-12-25)20-23-10-13-26(20)14-17-4-8-22-9-5-17/h4-5,8-10,13,15,18-19H,6-7,11-12,14H2,1-3H3,(H,24,27)/t19-/m1/s1
• InChIKey: YZOXTEUXESAEFU-LJQANCHMSA-N
• XLogP: 2.19
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide?

The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide (CID 97281199) is N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide.

What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide?

The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide is CC(=O)N[C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)C(C)C.

What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide?

The InChIKey is YZOXTEUXESAEFU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)19(24-16(3)27)21(28)25-11-6-18(7-12-25)20-23-10-13-26(20)14-17-4-8-22-9-5-17/h4-5,8-10,13,15,18-19H,6-7,11-12,14H2,1-3H3,(H,24,27)/t19-/m1/s1.

What are the key properties of N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide?

N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide is sourced from PubChem (CID 97281199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).