1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C19H21FN4OS — CID 167910016

IUPAC1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCN(c3ccc(F)cc3C#N)CC2)cs1
InChIInChI=1S/C19H21FN4OS/c1-13-22-17(12-26-13)11-23(2)19(25)14-5-7-24(8-6-14)18-4-3-16(20)9-15(18)10-21/h3-4,9,12,14H,5-8,11H2,1-2H3
InChIKeyUXRASCLXUILKCU-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.34
Rot. Bonds4

About 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 167910016) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID167910016
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCN(c3ccc(F)cc3C#N)CC2)cs1
InChIInChI=1S/C19H21FN4OS/c1-13-22-17(12-26-13)11-23(2)19(25)14-5-7-24(8-6-14)18-4-3-16(20)9-15(18)10-21/h3-4,9,12,14H,5-8,11H2,1-2H3
InChIKeyUXRASCLXUILKCU-UHFFFAOYSA-N
XLogP3.34
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 167910016) is 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN(C)C(=O)C2CCN(c3ccc(F)cc3C#N)CC2)cs1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UXRASCLXUILKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-13-22-17(12-26-13)11-23(2)19(25)14-5-7-24(8-6-14)18-4-3-16(20)9-15(18)10-21/h3-4,9,12,14H,5-8,11H2,1-2H3.
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167910016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).