2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one

C20H29N3O3 — CID 120924844

IUPAC2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-17(21-9-14-26-15)18(24)22-10-12-23(13-11-22)19(25)20(2,3)16-7-5-4-6-8-16/h4-8,15,17,21H,9-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyMNRVYBQUZXQQBM-WBVHZDCISA-N
MW359.47 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 120924844) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID120924844
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-17(21-9-14-26-15)18(24)22-10-12-23(13-11-22)19(25)20(2,3)16-7-5-4-6-8-16/h4-8,15,17,21H,9-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyMNRVYBQUZXQQBM-WBVHZDCISA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one (CID 120924844) is 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is MNRVYBQUZXQQBM-WBVHZDCISA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-17(21-9-14-26-15)18(24)22-10-12-23(13-11-22)19(25)20(2,3)16-7-5-4-6-8-16/h4-8,15,17,21H,9-14H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120924844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).