N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

C22H24F2N4O3 — CID 46632003

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H24F2N4O3/c1-14(20(29)25-15-6-8-17(9-7-15)31-21(23)24)27-12-10-16(11-13-27)28-19-5-3-2-4-18(19)26-22(28)30/h2-9,14,16,21H,10-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyOUYBNWOULQAJEU-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.60
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 46632003) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
PubChem CID46632003
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H24F2N4O3/c1-14(20(29)25-15-6-8-17(9-7-15)31-21(23)24)27-12-10-16(11-13-27)28-19-5-3-2-4-18(19)26-22(28)30/h2-9,14,16,21H,10-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyOUYBNWOULQAJEU-UHFFFAOYSA-N
XLogP3.60
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46631954
N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 78819042
3-[1-[1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12915841
3-[1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 40880204
3-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 17468558
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
3-[1-[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46631968
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544
1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol
CID 110168420

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (CID 46632003) is N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The InChIKey is OUYBNWOULQAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-14(20(29)25-15-6-8-17(9-7-15)31-21(23)24)27-12-10-16(11-13-27)28-19-5-3-2-4-18(19)26-22(28)30/h2-9,14,16,21H,10-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 430.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 46632003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).