N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide

C13H18FN3O — CID 143745573

IUPACN-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
SMILESNN1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)9-13(18)16-12-5-7-17(15)8-6-12/h1-4,12H,5-9,15H2,(H,16,18)
InChIKeyJPPWBOTUKOOVAR-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.82
Rot. Bonds3

About N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide

N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 143745573) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
PubChem CID143745573
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
SMILESNN1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)9-13(18)16-12-5-7-17(15)8-6-12/h1-4,12H,5-9,15H2,(H,16,18)
InChIKeyJPPWBOTUKOOVAR-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549654
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 154831123
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide (CID 143745573) is N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide is NN1CCC(NC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is JPPWBOTUKOOVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)9-13(18)16-12-5-7-17(15)8-6-12/h1-4,12H,5-9,15H2,(H,16,18).
What are the key properties of N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide?
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 143745573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).