N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C21H26N2O5S — CID 55654108

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-15-7-8-18(28-2)16(11-15)17(24)12-22-20(25)14-5-3-9-23(13-14)21(26)19-6-4-10-29-19/h4,6-8,10-11,14,17,24H,3,5,9,12-13H2,1-2H3,(H,22,25)
InChIKeyBPFPZFAZKYDEFD-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55654108) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55654108
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-15-7-8-18(28-2)16(11-15)17(24)12-22-20(25)14-5-3-9-23(13-14)21(26)19-6-4-10-29-19/h4,6-8,10-11,14,17,24H,3,5,9,12-13H2,1-2H3,(H,22,25)
InChIKeyBPFPZFAZKYDEFD-UHFFFAOYSA-N
XLogP2.47
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
(3R)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784230
(3R)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784232
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053321
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55654108) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is BPFPZFAZKYDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-15-7-8-18(28-2)16(11-15)17(24)12-22-20(25)14-5-3-9-23(13-14)21(26)19-6-4-10-29-19/h4,6-8,10-11,14,17,24H,3,5,9,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55654108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).