1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide

C22H31N3OS — CID 55852662

IUPAC1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C22H31N3OS/c1-3-4-5-12-23-21(26)18-10-13-25(14-11-18)15-20-16-27-22(24-20)19-8-6-17(2)7-9-19/h6-9,16,18H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyISBWTAFZPZNYEJ-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.64
Rot. Bonds8

About 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide

1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55852662) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55852662
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C22H31N3OS/c1-3-4-5-12-23-21(26)18-10-13-25(14-11-18)15-20-16-27-22(24-20)19-8-6-17(2)7-9-19/h6-9,16,18H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyISBWTAFZPZNYEJ-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
CID 55852922
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 55923069
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
N-[3-(dimethylamino)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142402
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide (CID 55852662) is 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is ISBWTAFZPZNYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-3-4-5-12-23-21(26)18-10-13-25(14-11-18)15-20-16-27-22(24-20)19-8-6-17(2)7-9-19/h6-9,16,18H,3-5,10-15H2,1-2H3,(H,23,26).
What are the key properties of 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide?
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 385.58 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55852662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).