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

C22H21F2N3OS — CID 162651491

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H21F2N3OS/c23-19-8-3-15(12-20(19)24)13-27-10-1-2-17(14-27)21(28)26-18-6-4-16(5-7-18)22-25-9-11-29-22/h3-9,11-12,17H,1-2,10,13-14H2,(H,26,28)
InChIKeyVGAKRBQUEAORRF-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.94
Rot. Bonds5

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

1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 162651491) has the molecular formula C22H21F2N3OS and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID162651491
Molecular FormulaC22H21F2N3OS
Molecular Weight413.49 g/mol
Exact Mass413.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H21F2N3OS/c23-19-8-3-15(12-20(19)24)13-27-10-1-2-17(14-27)21(28)26-18-6-4-16(5-7-18)22-25-9-11-29-22/h3-9,11-12,17H,1-2,10,13-14H2,(H,26,28)
InChIKeyVGAKRBQUEAORRF-UHFFFAOYSA-N
XLogP4.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
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CID 16094675
N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187693
ALP-POS-02c6a514-49
CID 156906925
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 44775716
4-methyl-2-(3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 1483717
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790499
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]nipecotamide
CID 24820094
(3S)-1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 25381372

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide (CID 162651491) is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is VGAKRBQUEAORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3OS/c23-19-8-3-15(12-20(19)24)13-27-10-1-2-17(14-27)21(28)26-18-6-4-16(5-7-18)22-25-9-11-29-22/h3-9,11-12,17H,1-2,10,13-14H2,(H,26,28).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 162651491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).