1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol

C26H28N4O2 — CID 166968934

IUPAC1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC1CCCN(C(O)C=C)C1
InChIInChI=1S/C26H28N4O2/c1-2-25(31)30-16-6-7-20(18-30)29-24-14-15-28-17-23(24)26(27)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h2-5,8-15,17,20,25,27,31H,1,6-7,16,18H2,(H,28,29)/b27-26+
InChIKeyOUBCGJJIUPFDQM-CYYJNZCTSA-N
MW428.54 g/mol
LogP4.67
Rot. Bonds8

About 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol

1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol (PubChem CID 166968934) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
PubChem CID166968934
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC1CCCN(C(O)C=C)C1
InChIInChI=1S/C26H28N4O2/c1-2-25(31)30-16-6-7-20(18-30)29-24-14-15-28-17-23(24)26(27)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h2-5,8-15,17,20,25,27,31H,1,6-7,16,18H2,(H,28,29)/b27-26+
InChIKeyOUBCGJJIUPFDQM-CYYJNZCTSA-N
XLogP4.67
TPSA81.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol with MolForge

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Related Compounds

1-[(3R)-3-[[3-fluoro-5-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 130426938
[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]azanium
CID 145368575
3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 145368639
1-[(2R)-2-[[5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]azetidin-1-yl]prop-2-en-1-one
CID 130426884
1-[(3R)-3-[[5-(3-methyl-4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 130426838
N-(1-buta-1,3-dien-2-ylpiperidin-3-yl)-5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine
CID 145368670
[5-[4-(3-fluorophenoxy)benzenecarboximidoyl]pyrimidin-4-yl]-(1-prop-2-enoylpiperidin-3-yl)azanium
CID 145368663
3-cyclopropyl-1-[4-[[5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-yn-1-one
CID 130426893
1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 138538927
4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809
[(2R)-1-but-2-ynoylazetidin-2-yl]methyl-[5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]azanide
CID 163759598
3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine
CID 130426999

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?
The IUPAC name of 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol (CID 166968934) is 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol is [H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC1CCCN(C(O)C=C)C1.
What is the InChIKey of 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?
The InChIKey is OUBCGJJIUPFDQM-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-25(31)30-16-6-7-20(18-30)29-24-14-15-28-17-23(24)26(27)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h2-5,8-15,17,20,25,27,31H,1,6-7,16,18H2,(H,28,29)/b27-26+.
What are the key properties of 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?
1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol has a molecular weight of 428.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 166968934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).