N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide

C16H15ClF3N3OS — CID 44526238

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1
InChIInChI=1S/C16H15ClF3N3OS/c17-12-8-10(16(18,19)20)9-21-14(12)23-5-3-11(4-6-23)22-15(24)13-2-1-7-25-13/h1-2,7-9,11H,3-6H2,(H,22,24)
InChIKeyKLLMRHGOIISTBE-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.21
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 44526238) has the molecular formula C16H15ClF3N3OS and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID44526238
Molecular FormulaC16H15ClF3N3OS
Molecular Weight389.83 g/mol
Exact Mass389.06
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1
InChIInChI=1S/C16H15ClF3N3OS/c17-12-8-10(16(18,19)20)9-21-14(12)23-5-3-11(4-6-23)22-15(24)13-2-1-7-25-13/h1-2,7-9,11H,3-6H2,(H,22,24)
InChIKeyKLLMRHGOIISTBE-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide (CID 44526238) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is KLLMRHGOIISTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3OS/c17-12-8-10(16(18,19)20)9-21-14(12)23-5-3-11(4-6-23)22-15(24)13-2-1-7-25-13/h1-2,7-9,11H,3-6H2,(H,22,24).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 389.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 44526238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).