N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C21H22F2N4O2 — CID 60504483

IUPACN-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-15-9-14(10-16(23)11-15)12-24-20(28)13-26-7-5-17(6-8-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-4,9-11,17H,5-8,12-13H2,(H,24,28)(H,25,29)
InChIKeyINPJSQVMARHDSP-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.56
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 60504483) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID60504483
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-15-9-14(10-16(23)11-15)12-24-20(28)13-26-7-5-17(6-8-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-4,9-11,17H,5-8,12-13H2,(H,24,28)(H,25,29)
InChIKeyINPJSQVMARHDSP-UHFFFAOYSA-N
XLogP2.56
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]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

2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504287
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 17417222
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40880372
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46672115
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40872849
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 60504483) is N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is INPJSQVMARHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-15-9-14(10-16(23)11-15)12-24-20(28)13-26-7-5-17(6-8-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-4,9-11,17H,5-8,12-13H2,(H,24,28)(H,25,29).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60504483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).