(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one

C21H28N2O3 — CID 110619017

IUPAC(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-2-17(18-6-4-3-5-7-18)16-20(24)22-10-8-19(9-11-22)21(25)23-12-14-26-15-13-23/h3-7,16,19H,2,8-15H2,1H3/b17-16+
InChIKeySNVGIJIZHOSJRK-WUKNDPDISA-N
MW356.47 g/mol
LogP2.58
Rot. Bonds4

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

(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one (PubChem CID 110619017) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
PubChem CID110619017
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-2-17(18-6-4-3-5-7-18)16-20(24)22-10-8-19(9-11-22)21(25)23-12-14-26-15-13-23/h3-7,16,19H,2,8-15H2,1H3/b17-16+
InChIKeySNVGIJIZHOSJRK-WUKNDPDISA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.58
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-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110304869
(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 110297176
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(E)-1-[4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 43064167
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The IUPAC name of (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one (CID 110619017) is (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The canonical SMILES for (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one is CC/C(=C\C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
The InChIKey is SNVGIJIZHOSJRK-WUKNDPDISA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-17(18-6-4-3-5-7-18)16-20(24)22-10-8-19(9-11-22)21(25)23-12-14-26-15-13-23/h3-7,16,19H,2,8-15H2,1H3/b17-16+.
What are the key properties of (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one?
(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one is sourced from PubChem (CID 110619017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).