1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide

C23H35N3O4S — CID 56573027

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C23H35N3O4S/c1-2-3-7-12-24-22(27)20-10-13-26(14-11-20)23(28)21(19-8-5-4-6-9-19)25-15-17-31(29,30)18-16-25/h4-6,8-9,20-21H,2-3,7,10-18H2,1H3,(H,24,27)
InChIKeyONFPDCZMZIAAIN-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.00
Rot. Bonds8

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 56573027) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
PubChem CID56573027
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C23H35N3O4S/c1-2-3-7-12-24-22(27)20-10-13-26(14-11-20)23(28)21(19-8-5-4-6-9-19)25-15-17-31(29,30)18-16-25/h4-6,8-9,20-21H,2-3,7,10-18H2,1H3,(H,24,27)
InChIKeyONFPDCZMZIAAIN-UHFFFAOYSA-N
XLogP2.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
CID 55828595
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
CID 71845794
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-phenylethanone
CID 56504652
ethyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516688
1-[2-(dimethylamino)-2-oxo-1-phenylethyl]-N-propylpiperidine-4-carboxamide
CID 134046466
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 56540796
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide (CID 56573027) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is ONFPDCZMZIAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-2-3-7-12-24-22(27)20-10-13-26(14-11-20)23(28)21(19-8-5-4-6-9-19)25-15-17-31(29,30)18-16-25/h4-6,8-9,20-21H,2-3,7,10-18H2,1H3,(H,24,27).
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 56573027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).