3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

C23H27N3O3 — CID 110219603

IUPAC3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H27N3O3/c27-23-26(21-5-1-2-6-22(21)29-23)20-4-3-11-24(17-20)16-18-7-9-19(10-8-18)25-12-14-28-15-13-25/h1-2,5-10,20H,3-4,11-17H2
InChIKeyJVFUAEVACDRRMD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.27
Rot. Bonds4

About 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 110219603) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID110219603
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H27N3O3/c27-23-26(21-5-1-2-6-22(21)29-23)20-4-3-11-24(17-20)16-18-7-9-19(10-8-18)25-12-14-28-15-13-25/h1-2,5-10,20H,3-4,11-17H2
InChIKeyJVFUAEVACDRRMD-UHFFFAOYSA-N
XLogP3.27
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219623
3-[(3S)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 124787661
3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219595
4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
CID 123895819
5-chloro-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 92576656
2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129323592
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964
3-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 34199927
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959731
2-[(3R)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324949
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (CID 110219603) is 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is JVFUAEVACDRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23-26(21-5-1-2-6-22(21)29-23)20-4-3-11-24(17-20)16-18-7-9-19(10-8-18)25-12-14-28-15-13-25/h1-2,5-10,20H,3-4,11-17H2.
What are the key properties of 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110219603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).