N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H27N3O4 — CID 43069850

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C23H27N3O4/c1-29-15-16-30-21-9-8-20(17-24-21)25-23(28)19-11-13-26(14-12-19)22(27)10-7-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b10-7+
InChIKeyVODASAIXJZWDDB-JXMROGBWSA-N
MW409.49 g/mol
LogP3.00
Rot. Bonds8

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 43069850) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID43069850
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C23H27N3O4/c1-29-15-16-30-21-9-8-20(17-24-21)25-23(28)19-11-13-26(14-12-19)22(27)10-7-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b10-7+
InChIKeyVODASAIXJZWDDB-JXMROGBWSA-N
XLogP3.00
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate
CID 26199089
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-[(E)-3-phenylprop-2-enoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46693006
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166
N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 48507742
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55497099
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 43069850) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is COCCOc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is VODASAIXJZWDDB-JXMROGBWSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-15-16-30-21-9-8-20(17-24-21)25-23(28)19-11-13-26(14-12-19)22(27)10-7-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b10-7+.
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43069850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).