4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide

C22H25N5O2 — CID 166090293

IUPAC4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn[nH]n2)cc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H25N5O2/c28-22(24-19-8-4-17(5-9-19)21-16-23-26-25-21)18-6-10-20(11-7-18)29-15-14-27-12-2-1-3-13-27/h4-11,16H,1-3,12-15H2,(H,24,28)(H,23,25,26)
InChIKeyFFTJBPYSVXBKLZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.59
Rot. Bonds7

About 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide

4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide (PubChem CID 166090293) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
PubChem CID166090293
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn[nH]n2)cc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H25N5O2/c28-22(24-19-8-4-17(5-9-19)21-16-23-26-25-21)18-6-10-20(11-7-18)29-15-14-27-12-2-1-3-13-27/h4-11,16H,1-3,12-15H2,(H,24,28)(H,23,25,26)
InChIKeyFFTJBPYSVXBKLZ-UHFFFAOYSA-N
XLogP3.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70655062
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxamide
CID 18357247
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
N-phenyl-2-[4-(phenylcarbamoyl)phenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxamide
CID 22001246
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[5-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 70660510
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
N-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide
CID 59589807

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide (CID 166090293) is 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cn[nH]n2)cc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide?
The InChIKey is FFTJBPYSVXBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(24-19-8-4-17(5-9-19)21-16-23-26-25-21)18-6-10-20(11-7-18)29-15-14-27-12-2-1-3-13-27/h4-11,16H,1-3,12-15H2,(H,24,28)(H,23,25,26).
What are the key properties of 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide?
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 166090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).