N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C24H24N2O3S — CID 55558530

IUPACN-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)25-23(27)18-6-4-14-26(16-18)24(28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,25,27)
InChIKeyMBPDYWIVWASIRT-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.34
Rot. Bonds5

About N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55558530) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55558530
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)25-23(27)18-6-4-14-26(16-18)24(28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,25,27)
InChIKeyMBPDYWIVWASIRT-UHFFFAOYSA-N
XLogP5.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55558530) is N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is MBPDYWIVWASIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)25-23(27)18-6-4-14-26(16-18)24(28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55558530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).