(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one

C21H29F3N4O2 — CID 125179856

IUPAC(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
SMILESO=C1CO[C@H](CNc2ncccc2C(F)(F)F)CN1CC1CCN(CC2CC2)CC1
InChIInChI=1S/C21H29F3N4O2/c22-21(23,24)18-2-1-7-25-20(18)26-10-17-13-28(19(29)14-30-17)12-16-5-8-27(9-6-16)11-15-3-4-15/h1-2,7,15-17H,3-6,8-14H2,(H,25,26)/t17-/m1/s1
InChIKeyVXOFSWMJSLRSDK-QGZVFWFLSA-N
MW426.48 g/mol
LogP2.86
Rot. Bonds7

About (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one

(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one (PubChem CID 125179856) has the molecular formula C21H29F3N4O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
PubChem CID125179856
Molecular FormulaC21H29F3N4O2
Molecular Weight426.48 g/mol
Exact Mass426.22
IUPAC Name(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
SMILESO=C1CO[C@H](CNc2ncccc2C(F)(F)F)CN1CC1CCN(CC2CC2)CC1
InChIInChI=1S/C21H29F3N4O2/c22-21(23,24)18-2-1-7-25-20(18)26-10-17-13-28(19(29)14-30-17)12-16-5-8-27(9-6-16)11-15-3-4-15/h1-2,7,15-17H,3-6,8-14H2,(H,25,26)/t17-/m1/s1
InChIKeyVXOFSWMJSLRSDK-QGZVFWFLSA-N
XLogP2.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The IUPAC name of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one (CID 125179856) is (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one.
What is the SMILES notation for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The canonical SMILES for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one is O=C1CO[C@H](CNc2ncccc2C(F)(F)F)CN1CC1CCN(CC2CC2)CC1.
What is the InChIKey of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The InChIKey is VXOFSWMJSLRSDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29F3N4O2/c22-21(23,24)18-2-1-7-25-20(18)26-10-17-13-28(19(29)14-30-17)12-16-5-8-27(9-6-16)11-15-3-4-15/h1-2,7,15-17H,3-6,8-14H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one has a molecular weight of 426.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 125179856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).