4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

C17H18ClF3N4OS — CID 33422239

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H18ClF3N4OS/c1-11-2-7-27-14(11)10-23-16(26)25-5-3-24(4-6-25)15-13(18)8-12(9-22-15)17(19,20)21/h2,7-9H,3-6,10H2,1H3,(H,23,26)
InChIKeyMCNFQMFQIKGUPN-UHFFFAOYSA-N
MW418.87 g/mol
LogP4.16
Rot. Bonds3

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 33422239) has the molecular formula C17H18ClF3N4OS and a molecular weight of 418.87 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID33422239
Molecular FormulaC17H18ClF3N4OS
Molecular Weight418.87 g/mol
Exact Mass418.08
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H18ClF3N4OS/c1-11-2-7-27-14(11)10-23-16(26)25-5-3-24(4-6-25)15-13(18)8-12(9-22-15)17(19,20)21/h2,7-9H,3-6,10H2,1H3,(H,23,26)
InChIKeyMCNFQMFQIKGUPN-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534821
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 78781797
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 60545537
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 46652261
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 60561951
3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 39013558
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27826347
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 4587122
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 27826647

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide (CID 33422239) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide is Cc1ccsc1CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is MCNFQMFQIKGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4OS/c1-11-2-7-27-14(11)10-23-16(26)25-5-3-24(4-6-25)15-13(18)8-12(9-22-15)17(19,20)21/h2,7-9H,3-6,10H2,1H3,(H,23,26).
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 418.87 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 33422239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).