N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C27H33N3O4 — CID 55802011

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C27H33N3O4/c1-2-34-19-7-16-28-26(32)23-10-6-11-24(20-23)29-27(33)22-14-17-30(18-15-22)25(31)13-12-21-8-4-3-5-9-21/h3-6,8-13,20,22H,2,7,14-19H2,1H3,(H,28,32)(H,29,33)/b13-12+
InChIKeyZNFIBNGDGVKCHH-OUKQBFOZSA-N
MW463.58 g/mol
LogP3.73
Rot. Bonds10

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 55802011) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID55802011
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C27H33N3O4/c1-2-34-19-7-16-28-26(32)23-10-6-11-24(20-23)29-27(33)22-14-17-30(18-15-22)25(31)13-12-21-8-4-3-5-9-21/h3-6,8-13,20,22H,2,7,14-19H2,1H3,(H,28,32)(H,29,33)/b13-12+
InChIKeyZNFIBNGDGVKCHH-OUKQBFOZSA-N
XLogP3.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
1-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076552
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate
CID 26199089
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 43069850
1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871291
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717787
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
CID 31591035

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 55802011) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is ZNFIBNGDGVKCHH-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-2-34-19-7-16-28-26(32)23-10-6-11-24(20-23)29-27(33)22-14-17-30(18-15-22)25(31)13-12-21-8-4-3-5-9-21/h3-6,8-13,20,22H,2,7,14-19H2,1H3,(H,28,32)(H,29,33)/b13-12+.
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55802011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).