N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H28N2O3S — CID 7579593

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)16-7-8-18(27-4)17(14-16)23-20(25)15-9-11-24(12-10-15)21(26)19-6-5-13-28-19/h5-8,13-15H,9-12H2,1-4H3,(H,23,25)
InChIKeyYTDPXPZKCQJBMH-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.55
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 7579593) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID7579593
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)16-7-8-18(27-4)17(14-16)23-20(25)15-9-11-24(12-10-15)21(26)19-6-5-13-28-19/h5-8,13-15H,9-12H2,1-4H3,(H,23,25)
InChIKeyYTDPXPZKCQJBMH-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935911
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
methyl 4-(difluoromethoxy)-5-methoxy-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55519935
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820076
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986
N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17453330
N-[2-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55985354
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55849670

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 7579593) is N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YTDPXPZKCQJBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-22(2,3)16-7-8-18(27-4)17(14-16)23-20(25)15-9-11-24(12-10-15)21(26)19-6-5-13-28-19/h5-8,13-15H,9-12H2,1-4H3,(H,23,25).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 7579593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).