1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide

C15H21N3OS — CID 8627240

IUPAC1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3OS/c1-2-11-3-5-13(6-4-11)17-15(20)18-9-7-12(8-10-18)14(16)19/h3-6,12H,2,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLTXAHQZGDHBYJI-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.14
Rot. Bonds3

About 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide

1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide (PubChem CID 8627240) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
PubChem CID8627240
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3OS/c1-2-11-3-5-13(6-4-11)17-15(20)18-9-7-12(8-10-18)14(16)19/h3-6,12H,2,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLTXAHQZGDHBYJI-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)azocane-1-carbothioamide
CID 2545029
(2R)-1-[(4-ethylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680102
1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 1314895
1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
CID 7943164
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272
ethyl 1-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperidine-4-carboxylate
CID 2946996
(3R)-1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628911
N-(4-ethylphenyl)piperazine-1-carbothioamide
CID 82297208
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838
ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate
CID 1258689
ethyl 4-[[4-(morpholine-4-carbonyl)piperidine-1-carbothioyl]amino]benzoate
CID 5296823
ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide (CID 8627240) is 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide is CCc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide?
The InChIKey is LTXAHQZGDHBYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-11-3-5-13(6-4-11)17-15(20)18-9-7-12(8-10-18)14(16)19/h3-6,12H,2,7-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide?
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide is sourced from PubChem (CID 8627240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).