[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone

C20H25N3O2S — CID 95856405

IUPAC[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C20H25N3O2S/c1-15-4-3-7-23(14-15)19(24)18-12-17(16-5-2-6-21-13-16)20(26-18)22-8-10-25-11-9-22/h2,5-6,12-13,15H,3-4,7-11,14H2,1H3/t15-/m0/s1
InChIKeyCCMDKERFXWINKZ-HNNXBMFYSA-N
MW371.51 g/mol
LogP3.52
Rot. Bonds3

About [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone

[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone (PubChem CID 95856405) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
PubChem CID95856405
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C20H25N3O2S/c1-15-4-3-7-23(14-15)19(24)18-12-17(16-5-2-6-21-13-16)20(26-18)22-8-10-25-11-9-22/h2,5-6,12-13,15H,3-4,7-11,14H2,1H3/t15-/m0/s1
InChIKeyCCMDKERFXWINKZ-HNNXBMFYSA-N
XLogP3.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(2,6-dimethylmorpholin-4-yl)-(5-morpholin-4-yl-4-pyridin-4-ylthiophen-2-yl)methanone
CID 110237366
N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone (CID 95856405) is [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone is C[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone?
The InChIKey is CCMDKERFXWINKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-4-3-7-23(14-15)19(24)18-12-17(16-5-2-6-21-13-16)20(26-18)22-8-10-25-11-9-22/h2,5-6,12-13,15H,3-4,7-11,14H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone?
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone has a molecular weight of 371.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone is sourced from PubChem (CID 95856405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).