(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

C18H29N5O2 — CID 70710740

IUPAC(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-13(19-3)18(24)23-6-4-15(5-7-23)16-12-17(21-14(2)20-16)22-8-10-25-11-9-22/h12-13,15,19H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyCXTVJBDEQUTAOX-ZDUSSCGKSA-N
MW347.46 g/mol
LogP0.94
Rot. Bonds4

About (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 70710740) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID70710740
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-13(19-3)18(24)23-6-4-15(5-7-23)16-12-17(21-14(2)20-16)22-8-10-25-11-9-22/h12-13,15,19H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyCXTVJBDEQUTAOX-ZDUSSCGKSA-N
XLogP0.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (CID 70710740) is (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is CN[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CXTVJBDEQUTAOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(19-3)18(24)23-6-4-15(5-7-23)16-12-17(21-14(2)20-16)22-8-10-25-11-9-22/h12-13,15,19H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
(2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70710740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).