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

C21H34N6O2 — CID 125155666

IUPAC(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one
SMILESCN(C)c1nccnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C21H34N6O2/c1-25(2)21-20(22-7-8-23-21)24-11-18-14-27(19(28)15-29-18)13-17-5-9-26(10-6-17)12-16-3-4-16/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyHXHORAZTGJPGJQ-GOSISDBHSA-N
MW402.54 g/mol
LogP1.30
Rot. Bonds8

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

(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one (PubChem CID 125155666) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one
PubChem CID125155666
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one
SMILESCN(C)c1nccnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C21H34N6O2/c1-25(2)21-20(22-7-8-23-21)24-11-18-14-27(19(28)15-29-18)13-17-5-9-26(10-6-17)12-16-3-4-16/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyHXHORAZTGJPGJQ-GOSISDBHSA-N
XLogP1.30
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one?
The IUPAC name of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one (CID 125155666) is (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one.
What is the SMILES notation for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one?
The canonical SMILES for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one is CN(C)c1nccnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1.
What is the InChIKey of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one?
The InChIKey is HXHORAZTGJPGJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-25(2)21-20(22-7-8-23-21)24-11-18-14-27(19(28)15-29-18)13-17-5-9-26(10-6-17)12-16-3-4-16/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one?
(6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one has a molecular weight of 402.54 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 125155666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).