1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide

C17H23N3O2 — CID 90579233

IUPAC1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)C2CCCN(C)C2)cn1
InChIInChI=1S/C17H23N3O2/c1-14-7-8-16(12-19-14)22-11-4-3-9-18-17(21)15-6-5-10-20(2)13-15/h7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,18,21)
InChIKeyAHFKQDNDOQALJP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds4

About 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide

1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide (PubChem CID 90579233) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide
PubChem CID90579233
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)C2CCCN(C)C2)cn1
InChIInChI=1S/C17H23N3O2/c1-14-7-8-16(12-19-14)22-11-4-3-9-18-17(21)15-6-5-10-20(2)13-15/h7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,18,21)
InChIKeyAHFKQDNDOQALJP-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
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

1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide
CID 90575138
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methylpiperidine-3-carboxamide
CID 71803227
1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide
CID 90579375
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
CID 90579339
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide (CID 90579233) is 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide is Cc1ccc(OCC#CCNC(=O)C2CCCN(C)C2)cn1.
What is the InChIKey of 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide?
The InChIKey is AHFKQDNDOQALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-7-8-16(12-19-14)22-11-4-3-9-18-17(21)15-6-5-10-20(2)13-15/h7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,18,21).
What are the key properties of 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide?
1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide is sourced from PubChem (CID 90579233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).