N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C25H26N2O2S — CID 56522986

IUPACN-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)26-23(28)19-14-16-27(17-15-19)24(29)22-13-8-18-30-22/h2-13,18-19H,14-17H2,1H3,(H,26,28)
InChIKeyYYBSZMHRYBJIRE-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.68
Rot. Bonds5

About N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 56522986) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID56522986
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)26-23(28)19-14-16-27(17-15-19)24(29)22-13-8-18-30-22/h2-13,18-19H,14-17H2,1H3,(H,26,28)
InChIKeyYYBSZMHRYBJIRE-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
2-methyl-2-phenyl-1-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 39998005
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 56522986) is N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YYBSZMHRYBJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)26-23(28)19-14-16-27(17-15-19)24(29)22-13-8-18-30-22/h2-13,18-19H,14-17H2,1H3,(H,26,28).
What are the key properties of N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 56522986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).