(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C25H29FN2O4 — CID 78832355

IUPAC(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN2O4/c26-22-10-8-20(9-11-22)24(29)28-12-4-7-21(16-28)25(30)32-18-23-17-27(13-14-31-23)15-19-5-2-1-3-6-19/h1-3,5-6,8-11,21,23H,4,7,12-18H2
InChIKeyPBLMOEKCIGYJPA-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.12
Rot. Bonds6

About (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate

(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 78832355) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID78832355
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN2O4/c26-22-10-8-20(9-11-22)24(29)28-12-4-7-21(16-28)25(30)32-18-23-17-27(13-14-31-23)15-19-5-2-1-3-6-19/h1-3,5-6,8-11,21,23H,4,7,12-18H2
InChIKeyPBLMOEKCIGYJPA-UHFFFAOYSA-N
XLogP3.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (3R)-1-benzoylpiperidine-3-carboxylate
CID 99793751
(5-phenyl-1,2-oxazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459448
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660959
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 40960869
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 78832355) is (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is O=C(OCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is PBLMOEKCIGYJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c26-22-10-8-20(9-11-22)24(29)28-12-4-7-21(16-28)25(30)32-18-23-17-27(13-14-31-23)15-19-5-2-1-3-6-19/h1-3,5-6,8-11,21,23H,4,7,12-18H2.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78832355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).