methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate

C23H24N2O4S — CID 58622602

IUPACmethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(CC3CCN(C(=O)OCc4ccccc4)CC3)cncc2s1
InChIInChI=1S/C23H24N2O4S/c1-28-22(26)20-12-19-18(13-24-14-21(19)30-20)11-16-7-9-25(10-8-16)23(27)29-15-17-5-3-2-4-6-17/h2-6,12-14,16H,7-11,15H2,1H3
InChIKeyVVJCWBXIBKWJMJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.67
Rot. Bonds5

About methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate

methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 58622602) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate
PubChem CID58622602
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Namemethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(CC3CCN(C(=O)OCc4ccccc4)CC3)cncc2s1
InChIInChI=1S/C23H24N2O4S/c1-28-22(26)20-12-19-18(13-24-14-21(19)30-20)11-16-7-9-25(10-8-16)23(27)29-15-17-5-3-2-4-6-17/h2-6,12-14,16H,7-11,15H2,1H3
InChIKeyVVJCWBXIBKWJMJ-UHFFFAOYSA-N
XLogP4.67
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate with MolForge

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Related Compounds

benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl 4-[[3-fluoro-1-(2-oxopentyl)azetidin-3-yl]methyl]piperidine-1-carboxylate
CID 176799798
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate (CID 58622602) is methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(CC3CCN(C(=O)OCc4ccccc4)CC3)cncc2s1.
What is the InChIKey of methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is VVJCWBXIBKWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-28-22(26)20-12-19-18(13-24-14-21(19)30-20)11-16-7-9-25(10-8-16)23(27)29-15-17-5-3-2-4-6-17/h2-6,12-14,16H,7-11,15H2,1H3.
What are the key properties of methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate?
methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 58622602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).