(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide

C24H33N3O3 — CID 118785319

IUPAC(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C24H33N3O3/c28-23(9-8-19-4-2-1-3-5-19)25-14-22-17-27(24(29)18-30-22)16-21-10-12-26(13-11-21)15-20-6-7-20/h1-5,8-9,20-22H,6-7,10-18H2,(H,25,28)/b9-8+
InChIKeyILNKFBOLIOAECA-CMDGGOBGSA-N
MW411.55 g/mol
LogP2.17
Rot. Bonds8

About (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide

(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 118785319) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
PubChem CID118785319
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C24H33N3O3/c28-23(9-8-19-4-2-1-3-5-19)25-14-22-17-27(24(29)18-30-22)16-21-10-12-26(13-11-21)15-20-6-7-20/h1-5,8-9,20-22H,6-7,10-18H2,(H,25,28)/b9-8+
InChIKeyILNKFBOLIOAECA-CMDGGOBGSA-N
XLogP2.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125170428
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(triazol-2-yl)acetamide
CID 125166319
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide
CID 125177678
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 125170829
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789
(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
CID 125179856
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 118763419
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
CID 146039284

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide (CID 118785319) is (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1.
What is the InChIKey of (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is ILNKFBOLIOAECA-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-23(9-8-19-4-2-1-3-5-19)25-14-22-17-27(24(29)18-30-22)16-21-10-12-26(13-11-21)15-20-6-7-20/h1-5,8-9,20-22H,6-7,10-18H2,(H,25,28)/b9-8+.
What are the key properties of (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 411.55 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 118785319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).