2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide

C20H28FN3O — CID 95276445

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2F)CC1
InChIInChI=1S/C20H28FN3O/c1-23(2)17-9-11-24(12-10-17)19-8-7-16(14-18(19)21)22-20(25)13-15-5-3-4-6-15/h3,5,7-8,14-15,17H,4,6,9-13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyIMKUAUICIJOAFV-OAHLLOKOSA-N
MW345.46 g/mol
LogP3.65
Rot. Bonds5

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide (PubChem CID 95276445) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide
PubChem CID95276445
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2F)CC1
InChIInChI=1S/C20H28FN3O/c1-23(2)17-9-11-24(12-10-17)19-8-7-16(14-18(19)21)22-20(25)13-15-5-3-4-6-15/h3,5,7-8,14-15,17H,4,6,9-13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyIMKUAUICIJOAFV-OAHLLOKOSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide (CID 95276445) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide is CN(C)C1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2F)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide?
The InChIKey is IMKUAUICIJOAFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-23(2)17-9-11-24(12-10-17)19-8-7-16(14-18(19)21)22-20(25)13-15-5-3-4-6-15/h3,5,7-8,14-15,17H,4,6,9-13H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 95276445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).