N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide

C26H32N4O3S — CID 135706437

IUPACN-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-3-23-25(21-11-9-19(2)10-12-21)34(32,33)29-26(23)27-17-24(31)28-22-13-15-30(16-14-22)18-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyWRCJXRGTNAISEG-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.23
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide (PubChem CID 135706437) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
PubChem CID135706437
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-3-23-25(21-11-9-19(2)10-12-21)34(32,33)29-26(23)27-17-24(31)28-22-13-15-30(16-14-22)18-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyWRCJXRGTNAISEG-UHFFFAOYSA-N
XLogP3.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 110986260
N-[(3S)-1-benzylpiperidin-3-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetamide
CID 135939870
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
CID 135810120
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110986461
N-(1-benzylpiperidin-4-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167761111
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide (CID 135706437) is N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide is CCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\CC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The InChIKey is WRCJXRGTNAISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-3-23-25(21-11-9-19(2)10-12-21)34(32,33)29-26(23)27-17-24(31)28-22-13-15-30(16-14-22)18-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide has a molecular weight of 480.63 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide is sourced from PubChem (CID 135706437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).