4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one

C20H29N3O3 — CID 163200041

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@H]2c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-15-13-25-9-7-22(15)17-11-19(21-20(24)12-17)23-8-10-26-14-18(23)16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3,(H,21,24)/t15-,17?,18+,19?/m1/s1
InChIKeyJWDKPVVJBBENNX-IZIZEDOESA-N
MW359.47 g/mol
LogP1.39
Rot. Bonds3

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200041) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one
PubChem CID163200041
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@H]2c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-15-13-25-9-7-22(15)17-11-19(21-20(24)12-17)23-8-10-26-14-18(23)16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3,(H,21,24)/t15-,17?,18+,19?/m1/s1
InChIKeyJWDKPVVJBBENNX-IZIZEDOESA-N
XLogP1.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one (CID 163200041) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@H]2c2ccccc2)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one?
The InChIKey is JWDKPVVJBBENNX-IZIZEDOESA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-13-25-9-7-22(15)17-11-19(21-20(24)12-17)23-8-10-26-14-18(23)16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3,(H,21,24)/t15-,17?,18+,19?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).