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

C16H24N2OS — CID 107026586

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCCN1CCC(N(C)C(=O)Cc2ccc(S)cc2)CC1
InChIInChI=1S/C16H24N2OS/c1-3-18-10-8-14(9-11-18)17(2)16(19)12-13-4-6-15(20)7-5-13/h4-7,14,20H,3,8-12H2,1-2H3
InChIKeyRUVNSWILRWWQQW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.46
Rot. Bonds4

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

N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107026586) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107026586
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCCN1CCC(N(C)C(=O)Cc2ccc(S)cc2)CC1
InChIInChI=1S/C16H24N2OS/c1-3-18-10-8-14(9-11-18)17(2)16(19)12-13-4-6-15(20)7-5-13/h4-7,14,20H,3,8-12H2,1-2H3
InChIKeyRUVNSWILRWWQQW-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 59079688
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107026594
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107026586) is N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide is CCN1CCC(N(C)C(=O)Cc2ccc(S)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is RUVNSWILRWWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18-10-8-14(9-11-18)17(2)16(19)12-13-4-6-15(20)7-5-13/h4-7,14,20H,3,8-12H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107026586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).