2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

C23H30N2O5S — CID 25384356

IUPAC2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2csc(C(C)=O)c2)CC1
InChIInChI=1S/C23H30N2O5S/c1-16(26)22-12-17(15-31-22)14-25-9-6-18(7-10-25)30-21-13-19(29-3)4-5-20(21)23(27)24-8-11-28-2/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,27)
InChIKeyLNDGJOMBSPGGSF-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.38
Rot. Bonds10

About 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 25384356) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID25384356
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2csc(C(C)=O)c2)CC1
InChIInChI=1S/C23H30N2O5S/c1-16(26)22-12-17(15-31-22)14-25-9-6-18(7-10-25)30-21-13-19(29-3)4-5-20(21)23(27)24-8-11-28-2/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,27)
InChIKeyLNDGJOMBSPGGSF-UHFFFAOYSA-N
XLogP3.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42298282
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25458744
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
4-methoxy-N-(2-methoxyethyl)-2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
CID 26404278
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
3-chloro-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42190947
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (CID 25384356) is 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2csc(C(C)=O)c2)CC1.
What is the InChIKey of 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is LNDGJOMBSPGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-16(26)22-12-17(15-31-22)14-25-9-6-18(7-10-25)30-21-13-19(29-3)4-5-20(21)23(27)24-8-11-28-2/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,27).
What are the key properties of 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 446.57 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 25384356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).