N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide

C26H30N2O2S — CID 123717604

IUPACN-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide
SMILESCN1CCC(c2ccccc2)(c2cc(CCCNC(=O)c3cccs3)ccc2O)CC1
InChIInChI=1S/C26H30N2O2S/c1-28-16-13-26(14-17-28,21-8-3-2-4-9-21)22-19-20(11-12-23(22)29)7-5-15-27-25(30)24-10-6-18-31-24/h2-4,6,8-12,18-19,29H,5,7,13-17H2,1H3,(H,27,30)
InChIKeyGSALZRJXKMJFFY-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.83
Rot. Bonds7

About N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide

N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide (PubChem CID 123717604) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide
PubChem CID123717604
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide
SMILESCN1CCC(c2ccccc2)(c2cc(CCCNC(=O)c3cccs3)ccc2O)CC1
InChIInChI=1S/C26H30N2O2S/c1-28-16-13-26(14-17-28,21-8-3-2-4-9-21)22-19-20(11-12-23(22)29)7-5-15-27-25(30)24-10-6-18-31-24/h2-4,6,8-12,18-19,29H,5,7,13-17H2,1H3,(H,27,30)
InChIKeyGSALZRJXKMJFFY-UHFFFAOYSA-N
XLogP4.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
5-hydroxy-8-[(1R)-1-hydroxy-2-[2-[4-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propoxy]phenyl]ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 54772189
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]thiophene-2-carboxamide
CID 110792361
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
CID 84559141

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide (CID 123717604) is N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide is CN1CCC(c2ccccc2)(c2cc(CCCNC(=O)c3cccs3)ccc2O)CC1.
What is the InChIKey of N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide?
The InChIKey is GSALZRJXKMJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-28-16-13-26(14-17-28,21-8-3-2-4-9-21)22-19-20(11-12-23(22)29)7-5-15-27-25(30)24-10-6-18-31-24/h2-4,6,8-12,18-19,29H,5,7,13-17H2,1H3,(H,27,30).
What are the key properties of N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide?
N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 123717604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).