1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

C23H25N5O2 — CID 30539816

IUPAC1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H25N5O2/c29-22(10-9-18-6-2-1-3-7-18)27-16-12-19(13-17-27)23(30)24-14-11-21-26-25-20-8-4-5-15-28(20)21/h1-10,15,19H,11-14,16-17H2,(H,24,30)/b10-9+
InChIKeyYYPRDPMUCPAAGM-MDZDMXLPSA-N
MW403.49 g/mol
LogP2.34
Rot. Bonds6

About 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 30539816) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID30539816
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H25N5O2/c29-22(10-9-18-6-2-1-3-7-18)27-16-12-19(13-17-27)23(30)24-14-11-21-26-25-20-8-4-5-15-28(20)21/h1-10,15,19H,11-14,16-17H2,(H,24,30)/b10-9+
InChIKeyYYPRDPMUCPAAGM-MDZDMXLPSA-N
XLogP2.34
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 134014213
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 9361911
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46789652
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
methyl 1-[N'-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252720
N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 29441570
(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (CID 30539816) is 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1nnc2ccccn12)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is YYPRDPMUCPAAGM-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(10-9-18-6-2-1-3-7-18)27-16-12-19(13-17-27)23(30)24-14-11-21-26-25-20-8-4-5-15-28(20)21/h1-10,15,19H,11-14,16-17H2,(H,24,30)/b10-9+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 30539816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).