N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide

C18H28N2OS — CID 50875423

IUPACN-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSCc2ccccc2)CC1
InChIInChI=1S/C18H28N2OS/c1-20-11-8-16(9-12-20)14-18(21)19-10-5-13-22-15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21)
InChIKeyPYOQVBVNFTZCLZ-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.16
Rot. Bonds8

About N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide

N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 50875423) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID50875423
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSCc2ccccc2)CC1
InChIInChI=1S/C18H28N2OS/c1-20-11-8-16(9-12-20)14-18(21)19-10-5-13-22-15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21)
InChIKeyPYOQVBVNFTZCLZ-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969993
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969880
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969982
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(1,4-dimethylpiperazin-2-yl)acetamide
CID 74241500
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide (CID 50875423) is N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)NCCCSCc2ccccc2)CC1.
What is the InChIKey of N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is PYOQVBVNFTZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-20-11-8-16(9-12-20)14-18(21)19-10-5-13-22-15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21).
What are the key properties of N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide?
N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 320.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50875423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).