2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide

C23H29FN4O2 — CID 10304855

IUPAC2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)C[C@H](N)Cc2ccccc2F)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C23H29FN4O2/c24-21-9-5-4-8-18(21)13-19(25)14-23(30)28-11-10-27(16-22(26)29)15-20(28)12-17-6-2-1-3-7-17/h1-9,19-20H,10-16,25H2,(H2,26,29)/t19-,20-/m1/s1
InChIKeyMFAJXYPDNZVGGJ-WOJBJXKFSA-N
MW412.51 g/mol
LogP1.33
Rot. Bonds8

About 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide

2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide (PubChem CID 10304855) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide
PubChem CID10304855
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)C[C@H](N)Cc2ccccc2F)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C23H29FN4O2/c24-21-9-5-4-8-18(21)13-19(25)14-23(30)28-11-10-27(16-22(26)29)15-20(28)12-17-6-2-1-3-7-17/h1-9,19-20H,10-16,25H2,(H2,26,29)/t19-,20-/m1/s1
InChIKeyMFAJXYPDNZVGGJ-WOJBJXKFSA-N
XLogP1.33
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide (CID 10304855) is 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide is NC(=O)CN1CCN(C(=O)C[C@H](N)Cc2ccccc2F)[C@H](Cc2ccccc2)C1.
What is the InChIKey of 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide?
The InChIKey is MFAJXYPDNZVGGJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H29FN4O2/c24-21-9-5-4-8-18(21)13-19(25)14-23(30)28-11-10-27(16-22(26)29)15-20(28)12-17-6-2-1-3-7-17/h1-9,19-20H,10-16,25H2,(H2,26,29)/t19-,20-/m1/s1.
What are the key properties of 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide?
2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3-benzylpiperazin-1-yl]acetamide is sourced from PubChem (CID 10304855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).