(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one

C21H30N2O2 — CID 110304869

IUPAC(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-2-19(20-6-4-3-5-7-20)16-21(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,16,18H,2,8-15,17H2,1H3/b19-16+
InChIKeyLXKLTNHIHVXOLW-KNTRCKAVSA-N
MW342.48 g/mol
LogP3.05
Rot. Bonds5

About (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one

(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one (PubChem CID 110304869) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
PubChem CID110304869
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-2-19(20-6-4-3-5-7-20)16-21(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,16,18H,2,8-15,17H2,1H3/b19-16+
InChIKeyLXKLTNHIHVXOLW-KNTRCKAVSA-N
XLogP3.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110619017
(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 110297176
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70786755
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55844203
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470
(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 110304852
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The IUPAC name of (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one (CID 110304869) is (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The canonical SMILES for (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one is CC/C(=C\C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The InChIKey is LXKLTNHIHVXOLW-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-19(20-6-4-3-5-7-20)16-21(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,16,18H,2,8-15,17H2,1H3/b19-16+.
What are the key properties of (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one is sourced from PubChem (CID 110304869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).