N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide

C23H28FN3O2 — CID 125009624

IUPACN-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCC2CCN(C(=O)CCc3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C23H28FN3O2/c1-17(28)26-22-16-20(10-13-25-22)3-2-19-11-14-27(15-12-19)23(29)9-6-18-4-7-21(24)8-5-18/h4-5,7-8,10,13,16,19H,2-3,6,9,11-12,14-15H2,1H3,(H,25,26,28)
InChIKeyVDONURDUQSFQQG-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.98
Rot. Bonds7

About N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide

N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 125009624) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
PubChem CID125009624
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCC2CCN(C(=O)CCc3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C23H28FN3O2/c1-17(28)26-22-16-20(10-13-25-22)3-2-19-11-14-27(15-12-19)23(29)9-6-18-4-7-21(24)8-5-18/h4-5,7-8,10,13,16,19H,2-3,6,9,11-12,14-15H2,1H3,(H,25,26,28)
InChIKeyVDONURDUQSFQQG-UHFFFAOYSA-N
XLogP3.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
CID 124939994
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 125000717
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124980911
2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide (CID 125009624) is N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCC2CCN(C(=O)CCc3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is VDONURDUQSFQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17(28)26-22-16-20(10-13-25-22)3-2-19-11-14-27(15-12-19)23(29)9-6-18-4-7-21(24)8-5-18/h4-5,7-8,10,13,16,19H,2-3,6,9,11-12,14-15H2,1H3,(H,25,26,28).
What are the key properties of N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide?
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 125009624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).