N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

C20H19ClFN3OS — CID 46395464

IUPACN-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)nccc2s1
InChIInChI=1S/C20H19ClFN3OS/c1-12-10-15-18(27-12)4-7-23-19(15)25-8-5-13(6-9-25)20(26)24-17-3-2-14(21)11-16(17)22/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,26)
InChIKeyZXJBNDOTCZLLLB-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.25
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (PubChem CID 46395464) has the molecular formula C20H19ClFN3OS and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
PubChem CID46395464
Molecular FormulaC20H19ClFN3OS
Molecular Weight403.91 g/mol
Exact Mass403.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)nccc2s1
InChIInChI=1S/C20H19ClFN3OS/c1-12-10-15-18(27-12)4-7-23-19(15)25-8-5-13(6-9-25)20(26)24-17-3-2-14(21)11-16(17)22/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,26)
InChIKeyZXJBNDOTCZLLLB-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395476
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289955
1-(4-chloro-2-fluorophenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide
CID 11560343
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102099
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839363
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885007
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118688

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (CID 46395464) is N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is Cc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)nccc2s1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is ZXJBNDOTCZLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3OS/c1-12-10-15-18(27-12)4-7-23-19(15)25-8-5-13(6-9-25)20(26)24-17-3-2-14(21)11-16(17)22/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46395464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).