N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C23H35N3O3 — CID 42212392

About N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 42212392) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
• PubChem CID: 42212392
• Molecular Formula: C23H35N3O3
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.27
• IUPAC Name: N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
• SMILES: COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)c(C)c1C
• InChI: InChI=1S/C23H35N3O3/c1-16-17(2)21(29-3)11-10-18(16)15-26-13-12-24-23(28)20(26)14-22(27)25-19-8-6-4-5-7-9-19/h10-11,19-20H,4-9,12-15H2,1-3H3,(H,24,28)(H,25,27)/t20-/m0/s1
• InChIKey: SUXYUTDFQHBRKF-FQEVSTJZSA-N
• XLogP: 2.84
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The IUPAC name of N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 42212392) is N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

What is the SMILES notation for N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The canonical SMILES for N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)c(C)c1C.

What is the InChIKey of N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The InChIKey is SUXYUTDFQHBRKF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-16-17(2)21(29-3)11-10-18(16)15-26-13-12-24-23(28)20(26)14-22(27)25-19-8-6-4-5-7-9-19/h10-11,19-20H,4-9,12-15H2,1-3H3,(H,24,28)(H,25,27)/t20-/m0/s1.

What are the key properties of N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 401.55 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 42212392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).