1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C23H25N3O2S2 — CID 20973353

IUPAC1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2S2/c27-21(9-8-17-5-2-1-3-6-17)26-12-10-18(11-13-26)22(28)24-15-19-16-30-23(25-19)20-7-4-14-29-20/h1-7,14,16,18H,8-13,15H2,(H,24,28)
InChIKeyOSYHMGQNGQNSTO-UHFFFAOYSA-N
MW439.61 g/mol
LogP4.36
Rot. Bonds7

About 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973353) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID20973353
Molecular FormulaC23H25N3O2S2
Molecular Weight439.61 g/mol
Exact Mass439.14
IUPAC Name1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2S2/c27-21(9-8-17-5-2-1-3-6-17)26-12-10-18(11-13-26)22(28)24-15-19-16-30-23(25-19)20-7-4-14-29-20/h1-7,14,16,18H,8-13,15H2,(H,24,28)
InChIKeyOSYHMGQNGQNSTO-UHFFFAOYSA-N
XLogP4.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973353) is 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OSYHMGQNGQNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c27-21(9-8-17-5-2-1-3-6-17)26-12-10-18(11-13-26)22(28)24-15-19-16-30-23(25-19)20-7-4-14-29-20/h1-7,14,16,18H,8-13,15H2,(H,24,28).
What are the key properties of 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 439.61 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).