3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide

C19H23N3O2S — CID 155873086

IUPAC3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C19H23N3O2S/c1-21(2)18(24)19(20-16-7-4-3-5-8-16)10-6-11-22(14-19)17(23)15-9-12-25-13-15/h3-5,7-9,12-13,20H,6,10-11,14H2,1-2H3
InChIKeyHFWGMICRDFRTNE-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.92
Rot. Bonds4

About 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide

3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 155873086) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
PubChem CID155873086
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C19H23N3O2S/c1-21(2)18(24)19(20-16-7-4-3-5-8-16)10-6-11-22(14-19)17(23)15-9-12-25-13-15/h3-5,7-9,12-13,20H,6,10-11,14H2,1-2H3
InChIKeyHFWGMICRDFRTNE-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide (CID 155873086) is 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)C1(Nc2ccccc2)CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is HFWGMICRDFRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-21(2)18(24)19(20-16-7-4-3-5-8-16)10-6-11-22(14-19)17(23)15-9-12-25-13-15/h3-5,7-9,12-13,20H,6,10-11,14H2,1-2H3.
What are the key properties of 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 155873086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).