(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

C23H22FN3O3S — CID 53347920

IUPAC(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H22FN3O3S/c1-30-18-10-8-15(9-11-18)19-14-31-23(25-19)26-21(28)20-7-2-3-12-27(20)22(29)16-5-4-6-17(24)13-16/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,25,26,28)/t20-/m1/s1
InChIKeyRHADGVIDFAHDIJ-HXUWFJFHSA-N
MW439.51 g/mol
LogP4.59
Rot. Bonds5

About (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 53347920) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
PubChem CID53347920
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H22FN3O3S/c1-30-18-10-8-15(9-11-18)19-14-31-23(25-19)26-21(28)20-7-2-3-12-27(20)22(29)16-5-4-6-17(24)13-16/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,25,26,28)/t20-/m1/s1
InChIKeyRHADGVIDFAHDIJ-HXUWFJFHSA-N
XLogP4.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 53347920) is (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The InChIKey is RHADGVIDFAHDIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-30-18-10-8-15(9-11-18)19-14-31-23(25-19)26-21(28)20-7-2-3-12-27(20)22(29)16-5-4-6-17(24)13-16/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,25,26,28)/t20-/m1/s1.
What are the key properties of (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
(2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 53347920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).