N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide

C24H27N5O3 — CID 25371813

IUPACN-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)Cn3cncn3)CC2)cc1
InChIInChI=1S/C24H27N5O3/c30-23(16-29-18-25-17-27-29)28-14-11-22(12-15-28)32-21-8-6-20(7-9-21)24(31)26-13-10-19-4-2-1-3-5-19/h1-9,17-18,22H,10-16H2,(H,26,31)
InChIKeyVZMPDUFSPXGRHD-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.32
Rot. Bonds8

About N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide

N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide (PubChem CID 25371813) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide
PubChem CID25371813
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)Cn3cncn3)CC2)cc1
InChIInChI=1S/C24H27N5O3/c30-23(16-29-18-25-17-27-29)28-14-11-22(12-15-28)32-21-8-6-20(7-9-21)24(31)26-13-10-19-4-2-1-3-5-19/h1-9,17-18,22H,10-16H2,(H,26,31)
InChIKeyVZMPDUFSPXGRHD-UHFFFAOYSA-N
XLogP2.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide (CID 25371813) is N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide is O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)Cn3cncn3)CC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide?
The InChIKey is VZMPDUFSPXGRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-23(16-29-18-25-17-27-29)28-14-11-22(12-15-28)32-21-8-6-20(7-9-21)24(31)26-13-10-19-4-2-1-3-5-19/h1-9,17-18,22H,10-16H2,(H,26,31).
What are the key properties of N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide?
N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide has a molecular weight of 433.51 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25371813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).