N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H28N2O4S — CID 55584917

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O4S/c1-28-19-11-10-17(14-20(19)29-18-7-2-3-8-18)24-22(26)16-6-4-12-25(15-16)23(27)21-9-5-13-30-21/h5,9-11,13-14,16,18H,2-4,6-8,12,15H2,1H3,(H,24,26)
InChIKeyLHHLYQKFIRHCSY-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.57
Rot. Bonds6

About N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55584917) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55584917
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O4S/c1-28-19-11-10-17(14-20(19)29-18-7-2-3-8-18)24-22(26)16-6-4-12-25(15-16)23(27)21-9-5-13-30-21/h5,9-11,13-14,16,18H,2-4,6-8,12,15H2,1H3,(H,24,26)
InChIKeyLHHLYQKFIRHCSY-UHFFFAOYSA-N
XLogP4.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55584917) is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is LHHLYQKFIRHCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-28-19-11-10-17(14-20(19)29-18-7-2-3-8-18)24-22(26)16-6-4-12-25(15-16)23(27)21-9-5-13-30-21/h5,9-11,13-14,16,18H,2-4,6-8,12,15H2,1H3,(H,24,26).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55584917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).