1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C21H26N2O2S — CID 24817624

IUPAC1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H26N2O2S/c1-14(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(25)20-11-10-19(26-20)15(3)24/h6-11,14,18,22H,4-5,12-13H2,1-3H3
InChIKeyRJFNBYZQWYLTJQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.79
Rot. Bonds5

About 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 24817624) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID24817624
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H26N2O2S/c1-14(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(25)20-11-10-19(26-20)15(3)24/h6-11,14,18,22H,4-5,12-13H2,1-3H3
InChIKeyRJFNBYZQWYLTJQ-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 24817624) is 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1.
What is the InChIKey of 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is RJFNBYZQWYLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(25)20-11-10-19(26-20)15(3)24/h6-11,14,18,22H,4-5,12-13H2,1-3H3.
What are the key properties of 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 370.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24817624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).