N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide

C15H22N2OS — CID 107025229

IUPACN-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCCN1CCCC(NC(=O)Cc2ccc(S)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-2-17-9-3-4-13(11-17)16-15(18)10-12-5-7-14(19)8-6-12/h5-8,13,19H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyLZZZYNLAIULHIQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.12
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide

N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107025229) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107025229
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCCN1CCCC(NC(=O)Cc2ccc(S)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-2-17-9-3-4-13(11-17)16-15(18)10-12-5-7-14(19)8-6-12/h5-8,13,19H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyLZZZYNLAIULHIQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide (CID 107025229) is N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide is CCN1CCCC(NC(=O)Cc2ccc(S)cc2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is LZZZYNLAIULHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-17-9-3-4-13(11-17)16-15(18)10-12-5-7-14(19)8-6-12/h5-8,13,19H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide?
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107025229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).