N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H16F6N2O2S — CID 27844264

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H16F6N2O2S/c20-18(21,22)12-8-13(19(23,24)25)10-14(9-12)26-16(28)11-3-5-27(6-4-11)17(29)15-2-1-7-30-15/h1-2,7-11H,3-6H2,(H,26,28)
InChIKeyMQEAIMRQWSJVQY-UHFFFAOYSA-N
MW450.40 g/mol
LogP5.28
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 27844264) has the molecular formula C19H16F6N2O2S and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID27844264
Molecular FormulaC19H16F6N2O2S
Molecular Weight450.40 g/mol
Exact Mass450.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H16F6N2O2S/c20-18(21,22)12-8-13(19(23,24)25)10-14(9-12)26-16(28)11-3-5-27(6-4-11)17(29)15-2-1-7-30-15/h1-2,7-11H,3-6H2,(H,26,28)
InChIKeyMQEAIMRQWSJVQY-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.40
LogP ≤ 55.28
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
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 7579593
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 58866702
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

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 27844264) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is MQEAIMRQWSJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2S/c20-18(21,22)12-8-13(19(23,24)25)10-14(9-12)26-16(28)11-3-5-27(6-4-11)17(29)15-2-1-7-30-15/h1-2,7-11H,3-6H2,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27844264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).