N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

C27H30N2O3S — CID 42869831

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(c3ccccc3)N(C(=O)Cc3cccs3)C2)cc1
InChIInChI=1S/C27H30N2O3S/c1-32-23-12-9-20(10-13-23)15-16-28-27(31)22-11-14-25(21-6-3-2-4-7-21)29(19-22)26(30)18-24-8-5-17-33-24/h2-10,12-13,17,22,25H,11,14-16,18-19H2,1H3,(H,28,31)
InChIKeyJETSMPRUOZNQSB-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 42869831) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
PubChem CID42869831
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(c3ccccc3)N(C(=O)Cc3cccs3)C2)cc1
InChIInChI=1S/C27H30N2O3S/c1-32-23-12-9-20(10-13-23)15-16-28-27(31)22-11-14-25(21-6-3-2-4-7-21)29(19-22)26(30)18-24-8-5-17-33-24/h2-10,12-13,17,22,25H,11,14-16,18-19H2,1H3,(H,28,31)
InChIKeyJETSMPRUOZNQSB-UHFFFAOYSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 46071643
1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 71955066
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 93000774
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46067533
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38011691
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (CID 42869831) is N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCC(c3ccccc3)N(C(=O)Cc3cccs3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is JETSMPRUOZNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-32-23-12-9-20(10-13-23)15-16-28-27(31)22-11-14-25(21-6-3-2-4-7-21)29(19-22)26(30)18-24-8-5-17-33-24/h2-10,12-13,17,22,25H,11,14-16,18-19H2,1H3,(H,28,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42869831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).