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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Related Compounds

N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 95986876
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 166216891
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 18204023
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9150979

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).