N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide

C15H20N2O3S — CID 108554750

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccccc2S)CC1
InChIInChI=1S/C15H20N2O3S/c1-20-10-14(18)17-8-6-11(7-9-17)16-15(19)12-4-2-3-5-13(12)21/h2-5,11,21H,6-10H2,1H3,(H,16,19)
InChIKeyZYGZYPQOKWYJKU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554750) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554750
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccccc2S)CC1
InChIInChI=1S/C15H20N2O3S/c1-20-10-14(18)17-8-6-11(7-9-17)16-15(19)12-4-2-3-5-13(12)21/h2-5,11,21H,6-10H2,1H3,(H,16,19)
InChIKeyZYGZYPQOKWYJKU-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
2-methoxy-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547455
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108561636

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide (CID 108554750) is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide is COCC(=O)N1CCC(NC(=O)c2ccccc2S)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is ZYGZYPQOKWYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-20-10-14(18)17-8-6-11(7-9-17)16-15(19)12-4-2-3-5-13(12)21/h2-5,11,21H,6-10H2,1H3,(H,16,19).
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 308.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).