N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide

C15H21N3OS — CID 24709451

IUPACN-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3OS/c1-11-5-2-3-8-18(11)10-14(19)17-13-7-4-6-12(9-13)15(16)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyHVXPRKMMVBBXPR-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.13
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide

N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 24709451) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID24709451
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3OS/c1-11-5-2-3-8-18(11)10-14(19)17-13-7-4-6-12(9-13)15(16)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyHVXPRKMMVBBXPR-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.13
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-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
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CID 28543386
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613218
N-(3-carbamothioylphenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61419450
N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 82032292
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide (CID 24709451) is N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is HVXPRKMMVBBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-5-2-3-8-18(11)10-14(19)17-13-7-4-6-12(9-13)15(16)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 24709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).