3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

C21H28N2O4S — CID 17014085

IUPAC3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCC(c2cccs2)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4S/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)22-14-16(19-8-7-11-28-19)23-9-5-4-6-10-23/h7-8,11-13,16H,4-6,9-10,14H2,1-3H3,(H,22,24)
InChIKeyPCYOLLDAVSOJQP-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.73
Rot. Bonds8

About 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17014085) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17014085
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCC(c2cccs2)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4S/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)22-14-16(19-8-7-11-28-19)23-9-5-4-6-10-23/h7-8,11-13,16H,4-6,9-10,14H2,1-3H3,(H,22,24)
InChIKeyPCYOLLDAVSOJQP-UHFFFAOYSA-N
XLogP3.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8799388
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147
4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 17014085) is 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is COc1cc(C(=O)NCC(c2cccs2)N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is PCYOLLDAVSOJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)22-14-16(19-8-7-11-28-19)23-9-5-4-6-10-23/h7-8,11-13,16H,4-6,9-10,14H2,1-3H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17014085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).