N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide

C16H21N5O2 — CID 131927636

IUPACN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C16H21N5O2/c1-23-15-3-2-13(21-10-18-19-11-21)9-14(15)20-16(22)8-12-4-6-17-7-5-12/h2-3,9-12,17H,4-8H2,1H3,(H,20,22)
InChIKeyAJRHYKPGWYPDFH-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.60
Rot. Bonds5

About N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide (PubChem CID 131927636) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide
PubChem CID131927636
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C16H21N5O2/c1-23-15-3-2-13(21-10-18-19-11-21)9-14(15)20-16(22)8-12-4-6-17-7-5-12/h2-3,9-12,17H,4-8H2,1H3,(H,20,22)
InChIKeyAJRHYKPGWYPDFH-UHFFFAOYSA-N
XLogP1.60
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide (CID 131927636) is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide is COc1ccc(-n2cnnc2)cc1NC(=O)CC1CCNCC1.
What is the InChIKey of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide?
The InChIKey is AJRHYKPGWYPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-15-3-2-13(21-10-18-19-11-21)9-14(15)20-16(22)8-12-4-6-17-7-5-12/h2-3,9-12,17H,4-8H2,1H3,(H,20,22).
What are the key properties of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide?
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide has a molecular weight of 315.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 131927636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).