1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide

C17H21N3OS — CID 2974724

IUPAC1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide
SMILESCCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H21N3OS/c1-2-19-11-14(13-5-3-4-6-15(13)19)17(22)20-9-7-12(8-10-20)16(18)21/h3-6,11-12H,2,7-10H2,1H3,(H2,18,21)
InChIKeyDFMQSVXTJVZZLZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.53
Rot. Bonds3

About 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide

1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide (PubChem CID 2974724) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide
PubChem CID2974724
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide
SMILESCCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H21N3OS/c1-2-19-11-14(13-5-3-4-6-15(13)19)17(22)20-9-7-12(8-10-20)16(18)21/h3-6,11-12H,2,7-10H2,1H3,(H2,18,21)
InChIKeyDFMQSVXTJVZZLZ-UHFFFAOYSA-N
XLogP2.53
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide (CID 2974724) is 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide is CCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide?
The InChIKey is DFMQSVXTJVZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-19-11-14(13-5-3-4-6-15(13)19)17(22)20-9-7-12(8-10-20)16(18)21/h3-6,11-12H,2,7-10H2,1H3,(H2,18,21).
What are the key properties of 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide?
1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindole-3-carbothioyl)piperidine-4-carboxamide is sourced from PubChem (CID 2974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).