(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C17H31N3O2 — CID 1439725

IUPAC(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyGUMLQMBJLFRNDQ-HNNXBMFYSA-N
MW309.45 g/mol
LogP1.18
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 1439725) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID1439725
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyGUMLQMBJLFRNDQ-HNNXBMFYSA-N
XLogP1.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 1439725) is (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is GUMLQMBJLFRNDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 1439725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).