N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C23H27N5O4 — CID 55863884

IUPACN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H27N5O4/c29-21(17-32-19-7-2-1-3-8-19)26-15-10-18(11-16-26)22(30)24-12-6-14-28-23(31)27-13-5-4-9-20(27)25-28/h1-5,7-9,13,18H,6,10-12,14-17H2,(H,24,30)
InChIKeyIHDKVPFQVCMFIK-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.32
Rot. Bonds8

About N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55863884) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55863884
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H27N5O4/c29-21(17-32-19-7-2-1-3-8-19)26-15-10-18(11-16-26)22(30)24-12-6-14-28-23(31)27-13-5-4-9-20(27)25-28/h1-5,7-9,13,18H,6,10-12,14-17H2,(H,24,30)
InChIKeyIHDKVPFQVCMFIK-UHFFFAOYSA-N
XLogP1.32
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
CID 119536703
1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
CID 60566041
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 71894914
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55863884) is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is O=C(NCCCn1nc2ccccn2c1=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is IHDKVPFQVCMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-21(17-32-19-7-2-1-3-8-19)26-15-10-18(11-16-26)22(30)24-12-6-14-28-23(31)27-13-5-4-9-20(27)25-28/h1-5,7-9,13,18H,6,10-12,14-17H2,(H,24,30).
What are the key properties of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55863884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).