N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C18H17F3N2O2S — CID 87353543

IUPACN-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H17F3N2O2S/c19-18(20,21)16(24)14-6-7-15(26-14)17(25)22-12-8-10-23(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,25)
InChIKeyCKROLDZJELQXAY-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.89
Rot. Bonds4

About N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 87353543) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID87353543
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H17F3N2O2S/c19-18(20,21)16(24)14-6-7-15(26-14)17(25)22-12-8-10-23(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,25)
InChIKeyCKROLDZJELQXAY-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110745882

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 87353543) is N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is CKROLDZJELQXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c19-18(20,21)16(24)14-6-7-15(26-14)17(25)22-12-8-10-23(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,25).
What are the key properties of N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-4-yl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 87353543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).