[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate

C24H30ClN3O3 — CID 168679086

IUPAC[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(C2CCN(c3ccccn3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H30ClN3O3/c1-18(29)30-17-23-15-28(22(16-31-23)14-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-11-26-24/h2-8,11,21-23H,9-10,12-17H2,1H3/t22?,23-/m1/s1
InChIKeyZFWQKRMRFVOFES-OZAIVSQSSA-N
MW443.98 g/mol
LogP3.58
Rot. Bonds6

About [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate

[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate (PubChem CID 168679086) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate
PubChem CID168679086
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(C2CCN(c3ccccn3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H30ClN3O3/c1-18(29)30-17-23-15-28(22(16-31-23)14-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-11-26-24/h2-8,11,21-23H,9-10,12-17H2,1H3/t22?,23-/m1/s1
InChIKeyZFWQKRMRFVOFES-OZAIVSQSSA-N
XLogP3.58
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate?
The IUPAC name of [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate (CID 168679086) is [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate.
What is the SMILES notation for [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate?
The canonical SMILES for [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate is CC(=O)OC[C@H]1CN(C2CCN(c3ccccn3)CC2)C(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate?
The InChIKey is ZFWQKRMRFVOFES-OZAIVSQSSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-18(29)30-17-23-15-28(22(16-31-23)14-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-11-26-24/h2-8,11,21-23H,9-10,12-17H2,1H3/t22?,23-/m1/s1.
What are the key properties of [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate?
[(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate has a molecular weight of 443.98 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl acetate is sourced from PubChem (CID 168679086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).