N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride

C18H25Cl2FN4O — CID 119860261

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(-n2ccnc2)c(F)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H23FN4O.2ClH/c1-13(14-3-2-6-20-11-14)9-18(24)22-15-4-5-17(16(19)10-15)23-8-7-21-12-23;;/h4-5,7-8,10,12-14,20H,2-3,6,9,11H2,1H3,(H,22,24);2*1H
InChIKeyXWOUXFVHMFLNMW-UHFFFAOYSA-N
MW403.33 g/mol
LogP3.82
Rot. Bonds5

About N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119860261) has the molecular formula C18H25Cl2FN4O and a molecular weight of 403.33 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119860261
Molecular FormulaC18H25Cl2FN4O
Molecular Weight403.33 g/mol
Exact Mass402.14
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(-n2ccnc2)c(F)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H23FN4O.2ClH/c1-13(14-3-2-6-20-11-14)9-18(24)22-15-4-5-17(16(19)10-15)23-8-7-21-12-23;;/h4-5,7-8,10,12-14,20H,2-3,6,9,11H2,1H3,(H,22,24);2*1H
InChIKeyXWOUXFVHMFLNMW-UHFFFAOYSA-N
XLogP3.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731482
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
methyl (2S)-4-(3-fluoro-4-imidazol-1-ylanilino)-2-methyl-4-oxobutanoate
CID 97019374
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119860261) is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccc(-n2ccnc2)c(F)c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is XWOUXFVHMFLNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.2ClH/c1-13(14-3-2-6-20-11-14)9-18(24)22-15-4-5-17(16(19)10-15)23-8-7-21-12-23;;/h4-5,7-8,10,12-14,20H,2-3,6,9,11H2,1H3,(H,22,24);2*1H.
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 403.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).