(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide

C17H22N4O2 — CID 95195537

IUPAC(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(12-16(23-13)15-6-4-3-5-7-15)17(22)18-8-14-9-19-20(2)11-14/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,18,22)/t13-,16+/m1/s1
InChIKeyFNQBFMFERNPSGW-CJNGLKHVSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds3

About (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide

(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide (PubChem CID 95195537) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
PubChem CID95195537
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(12-16(23-13)15-6-4-3-5-7-15)17(22)18-8-14-9-19-20(2)11-14/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,18,22)/t13-,16+/m1/s1
InChIKeyFNQBFMFERNPSGW-CJNGLKHVSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide (CID 95195537) is (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide?
The InChIKey is FNQBFMFERNPSGW-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-10-21(12-16(23-13)15-6-4-3-5-7-15)17(22)18-8-14-9-19-20(2)11-14/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,18,22)/t13-,16+/m1/s1.
What are the key properties of (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide?
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 95195537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).