1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

C21H21N3O3 — CID 24793077

IUPAC1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCC#CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C21H21N3O3/c1-2-6-20(25)24-13-11-16(12-14-24)21(26)23-17-9-10-19(22-15-17)27-18-7-4-3-5-8-18/h3-5,7-10,15-16H,11-14H2,1H3,(H,23,26)
InChIKeyGLBDULYUZTUXPO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.07
Rot. Bonds4

About 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 24793077) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID24793077
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCC#CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C21H21N3O3/c1-2-6-20(25)24-13-11-16(12-14-24)21(26)23-17-9-10-19(22-15-17)27-18-7-4-3-5-8-18/h3-5,7-10,15-16H,11-14H2,1H3,(H,23,26)
InChIKeyGLBDULYUZTUXPO-UHFFFAOYSA-N
XLogP3.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Asp-8477
CID 15950844
6-Phenoxy-3-pyridinamine
CID 212856
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
N-[2-(2,4-difluorophenoxy)pyridin-3-yl]-2-methylacrylamide
CID 2800710
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486
N-[4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]acetamide chloride
CID 16188723
1-isonicotinoyl-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816856
(2S)-2-amino-N-(6-phenoxypyridin-3-yl)pentanediamide
CID 24901614
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-3-pyridinylpropanamide
CID 2970117
4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2999530

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (CID 24793077) is 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is CC#CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1.
What is the InChIKey of 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GLBDULYUZTUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-6-20(25)24-13-11-16(12-14-24)21(26)23-17-9-10-19(22-15-17)27-18-7-4-3-5-8-18/h3-5,7-10,15-16H,11-14H2,1H3,(H,23,26).
What are the key properties of 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynoyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24793077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).