N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H23ClFN5O — CID 119731482

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(-n2cncn2)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C17H22FN5O.ClH/c1-12(13-3-2-6-19-9-13)7-17(24)22-14-4-5-16(15(18)8-14)23-11-20-10-21-23;/h4-5,8,10-13,19H,2-3,6-7,9H2,1H3,(H,22,24);1H
InChIKeyGLSAGWSNQYHSSN-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.79
Rot. Bonds5

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119731482) has the molecular formula C17H23ClFN5O and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119731482
Molecular FormulaC17H23ClFN5O
Molecular Weight367.86 g/mol
Exact Mass367.16
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(-n2cncn2)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C17H22FN5O.ClH/c1-12(13-3-2-6-19-9-13)7-17(24)22-14-4-5-16(15(18)8-14)23-11-20-10-21-23;/h4-5,8,10-13,19H,2-3,6-7,9H2,1H3,(H,22,24);1H
InChIKeyGLSAGWSNQYHSSN-UHFFFAOYSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119860261
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
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
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119731482) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(-n2cncn2)c(F)c1)C1CCCNC1.Cl.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GLSAGWSNQYHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O.ClH/c1-12(13-3-2-6-19-9-13)7-17(24)22-14-4-5-16(15(18)8-14)23-11-20-10-21-23;/h4-5,8,10-13,19H,2-3,6-7,9H2,1H3,(H,22,24);1H.
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).