3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide

C21H23N5O2 — CID 56527384

IUPAC3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c27-19(22-20-23-21(25-24-20)26-12-5-2-6-13-26)17-10-7-11-18(14-17)28-15-16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H2,22,23,24,25,27)
InChIKeyQRZPHDOXCATNDL-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.63
Rot. Bonds6

About 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide

3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 56527384) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID56527384
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c27-19(22-20-23-21(25-24-20)26-12-5-2-6-13-26)17-10-7-11-18(14-17)28-15-16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H2,22,23,24,25,27)
InChIKeyQRZPHDOXCATNDL-UHFFFAOYSA-N
XLogP3.63
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2275832
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CID 3296520
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide
CID 75389682
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
N-(1H-indazol-7-yl)-3-phenylmethoxybenzamide
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CID 17148514
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylmethoxybenzamide
CID 17102550
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide (CID 56527384) is 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is QRZPHDOXCATNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(22-20-23-21(25-24-20)26-12-5-2-6-13-26)17-10-7-11-18(14-17)28-15-16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H2,22,23,24,25,27).
What are the key properties of 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 56527384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).