N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C22H31N5OS — CID 70710357

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1csc(CNC(=O)C2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C22H31N5OS/c1-17-16-29-21(25-17)13-24-22(28)19-5-3-9-27(15-19)20-6-10-26(11-7-20)14-18-4-2-8-23-12-18/h2,4,8,12,16,19-20H,3,5-7,9-11,13-15H2,1H3,(H,24,28)
InChIKeyTZKGDAFHUHWEIM-UHFFFAOYSA-N
MW413.59 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70710357) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID70710357
Molecular FormulaC22H31N5OS
Molecular Weight413.59 g/mol
Exact Mass413.22
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1csc(CNC(=O)C2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C22H31N5OS/c1-17-16-29-21(25-17)13-24-22(28)19-5-3-9-27(15-19)20-6-10-26(11-7-20)14-18-4-2-8-23-12-18/h2,4,8,12,16,19-20H,3,5-7,9-11,13-15H2,1H3,(H,24,28)
InChIKeyTZKGDAFHUHWEIM-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one
CID 10221761
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24791083
(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-[N-[(2-methyl-1,3-thiazol-4-yl)methyl]anilino]piperidin-1-yl]piperidin-1-yl]methanone
CID 10186910
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)pyridine-3-carboxamide
CID 46870767
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 84507995
1-Methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
CID 10970438
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
N-[(5-methyl-2-thienyl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
CID 24791013
13-(4-Methyl-1,3-thiazol-2-yl)-15-pyridin-3-yl-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290878
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 44449426

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70710357) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1csc(CNC(=O)C2CCCN(C3CCN(Cc4cccnc4)CC3)C2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is TZKGDAFHUHWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c1-17-16-29-21(25-17)13-24-22(28)19-5-3-9-27(15-19)20-6-10-26(11-7-20)14-18-4-2-8-23-12-18/h2,4,8,12,16,19-20H,3,5-7,9-11,13-15H2,1H3,(H,24,28).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70710357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).