N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C22H25N5O — CID 56891797

IUPACN-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-11-5-4-10-19(20)21-23-16-24-26-21)25-18-9-6-13-27(15-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,28)(H,23,24,26)
InChIKeyPBSUNHYQXFHRTG-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.91
Rot. Bonds6

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

N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 56891797) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID56891797
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-11-5-4-10-19(20)21-23-16-24-26-21)25-18-9-6-13-27(15-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,28)(H,23,24,26)
InChIKeyPBSUNHYQXFHRTG-UHFFFAOYSA-N
XLogP2.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 56891797) is N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NC1CCCN(CCc2ccccc2)C1)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PBSUNHYQXFHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(20-11-5-4-10-19(20)21-23-16-24-26-21)25-18-9-6-13-27(15-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,28)(H,23,24,26).
What are the key properties of N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 56891797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).