1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C26H25N3O2 — CID 24790859

IUPAC1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESC#Cc1ccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-20-11-13-21(14-12-20)18-29-16-6-7-22(19-29)26(30)28-24-9-3-4-10-25(24)31-23-8-5-15-27-17-23/h1,3-5,8-15,17,22H,6-7,16,18-19H2,(H,28,30)
InChIKeyMZQKNVLSCPHADL-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.71
Rot. Bonds6

About 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24790859) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24790859
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESC#Cc1ccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-20-11-13-21(14-12-20)18-29-16-6-7-22(19-29)26(30)28-24-9-3-4-10-25(24)31-23-8-5-15-27-17-23/h1,3-5,8-15,17,22H,6-7,16,18-19H2,(H,28,30)
InChIKeyMZQKNVLSCPHADL-UHFFFAOYSA-N
XLogP4.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.71
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-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
5-[[3-[(4-Piperidin-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155864
5-[[3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155865
5-[[3-[(4-Cyclohexylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155894
5-[[3-[(4-Methylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156297
5-[[3-[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156322
5-[[3-(Pyridine-4-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156324
5-[[3-[(4-Pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156464
5-[[3-[(4-Pyridin-4-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156601
5-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156715
5-[[3-(Pyridine-3-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156728
5-[[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156887

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24790859) is 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is C#Cc1ccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cc1.
What is the InChIKey of 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is MZQKNVLSCPHADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-20-11-13-21(14-12-20)18-29-16-6-7-22(19-29)26(30)28-24-9-3-4-10-25(24)31-23-8-5-15-27-17-23/h1,3-5,8-15,17,22H,6-7,16,18-19H2,(H,28,30).
What are the key properties of 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethynylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).