morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone

C20H37N3O2S — CID 96580595

IUPACmorpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC(C)SCCN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H37N3O2S/c1-17(2)26-15-12-21-8-5-19(6-9-21)23-7-3-4-18(16-23)20(24)22-10-13-25-14-11-22/h17-19H,3-16H2,1-2H3/t18-/m0/s1
InChIKeyBJSQGKSSQNEAJI-SFHVURJKSA-N
MW383.60 g/mol
LogP2.16
Rot. Bonds6

About morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone

morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 96580595) has the molecular formula C20H37N3O2S and a molecular weight of 383.60 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID96580595
Molecular FormulaC20H37N3O2S
Molecular Weight383.60 g/mol
Exact Mass383.26
IUPAC Namemorpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC(C)SCCN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H37N3O2S/c1-17(2)26-15-12-21-8-5-19(6-9-21)23-7-3-4-18(16-23)20(24)22-10-13-25-14-11-22/h17-19H,3-16H2,1-2H3/t18-/m0/s1
InChIKeyBJSQGKSSQNEAJI-SFHVURJKSA-N
XLogP2.16
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
morpholin-4-yl-[(3R)-1-(1-propylsulfonylpiperidin-4-yl)piperidin-3-yl]methanone
CID 96573725
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
[(3R)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95559782
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95229566
[(3S)-1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96576947
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
[(3R)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95220320

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 96580595) is morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone is CC(C)SCCN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is BJSQGKSSQNEAJI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H37N3O2S/c1-17(2)26-15-12-21-8-5-19(6-9-21)23-7-3-4-18(16-23)20(24)22-10-13-25-14-11-22/h17-19H,3-16H2,1-2H3/t18-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 383.60 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 96580595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).