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

C16H23N3OS — CID 43584521

IUPACN-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C16H23N3OS/c1-2-12-4-3-9-19(10-12)11-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,12H,2-4,9-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYSZIJSDZCVTQED-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds5

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

N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide (PubChem CID 43584521) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
PubChem CID43584521
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C16H23N3OS/c1-2-12-4-3-9-19(10-12)11-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,12H,2-4,9-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYSZIJSDZCVTQED-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562692
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125001
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide (CID 43584521) is N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide is CCC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The InChIKey is YSZIJSDZCVTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-12-4-3-9-19(10-12)11-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,12H,2-4,9-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43584521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).