[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C20H25NO3S — CID 97422813

IUPAC[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccc(C)s3)CC[C@@H]2OC)cc1
InChIInChI=1S/C20H25NO3S/c1-14-4-9-19(25-14)20(22)21-11-10-18(24-3)16(13-21)12-15-5-7-17(23-2)8-6-15/h4-9,16,18H,10-13H2,1-3H3/t16-,18-/m0/s1
InChIKeyCGRTULFDHWLDRR-WMZOPIPTSA-N
MW359.49 g/mol
LogP3.78
Rot. Bonds5

About [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 97422813) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID97422813
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccc(C)s3)CC[C@@H]2OC)cc1
InChIInChI=1S/C20H25NO3S/c1-14-4-9-19(25-14)20(22)21-11-10-18(24-3)16(13-21)12-15-5-7-17(23-2)8-6-15/h4-9,16,18H,10-13H2,1-3H3/t16-,18-/m0/s1
InChIKeyCGRTULFDHWLDRR-WMZOPIPTSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97423391
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
[(3S,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97422417
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
CID 124790949
(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97422846

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 97422813) is [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3ccc(C)s3)CC[C@@H]2OC)cc1.
What is the InChIKey of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is CGRTULFDHWLDRR-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-4-9-19(25-14)20(22)21-11-10-18(24-3)16(13-21)12-15-5-7-17(23-2)8-6-15/h4-9,16,18H,10-13H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 359.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97422813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).