1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

C21H26N2O5S — CID 46556807

IUPAC1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H26N2O5S/c1-26-16-11-18(28-3)17(27-2)10-15(16)12-22-20(24)14-6-4-8-23(13-14)21(25)19-7-5-9-29-19/h5,7,9-11,14H,4,6,8,12-13H2,1-3H3,(H,22,24)
InChIKeyUFCFNXGETXPAKN-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.94
Rot. Bonds7

About 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46556807) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID46556807
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H26N2O5S/c1-26-16-11-18(28-3)17(27-2)10-15(16)12-22-20(24)14-6-4-8-23(13-14)21(25)19-7-5-9-29-19/h5,7,9-11,14H,4,6,8,12-13H2,1-3H3,(H,22,24)
InChIKeyUFCFNXGETXPAKN-UHFFFAOYSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55654108
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 46556807) is 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UFCFNXGETXPAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-26-16-11-18(28-3)17(27-2)10-15(16)12-22-20(24)14-6-4-8-23(13-14)21(25)19-7-5-9-29-19/h5,7,9-11,14H,4,6,8,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46556807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).