morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone

C20H31N3O2S — CID 24791492

IUPACmorpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCN(Cc3ccsc3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C20H31N3O2S/c24-20(23-10-12-25-13-11-23)18-1-8-22(9-2-18)19-3-6-21(7-4-19)15-17-5-14-26-16-17/h5,14,16,18-19H,1-4,6-13,15H2
InChIKeyZAYJHUMRJCJCAR-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.28
Rot. Bonds4

About morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone

morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone (PubChem CID 24791492) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone
PubChem CID24791492
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Namemorpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCN(Cc3ccsc3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C20H31N3O2S/c24-20(23-10-12-25-13-11-23)18-1-8-22(9-2-18)19-3-6-21(7-4-19)15-17-5-14-26-16-17/h5,14,16,18-19H,1-4,6-13,15H2
InChIKeyZAYJHUMRJCJCAR-UHFFFAOYSA-N
XLogP2.28
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone (CID 24791492) is morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone is O=C(C1CCN(C2CCN(Cc3ccsc3)CC2)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is ZAYJHUMRJCJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c24-20(23-10-12-25-13-11-23)18-1-8-22(9-2-18)19-3-6-21(7-4-19)15-17-5-14-26-16-17/h5,14,16,18-19H,1-4,6-13,15H2.
What are the key properties of morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone?
morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 377.55 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 24791492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).