[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone

C19H24N2OS — CID 26392166

IUPAC[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1
InChIInChI=1S/C19H24N2OS/c1-14(2)15-5-7-17(8-6-15)20-18-4-3-10-21(12-18)19(22)16-9-11-23-13-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3/t18-/m0/s1
InChIKeyPPVHJHDKNGAAMB-SFHVURJKSA-N
MW328.48 g/mol
LogP4.59
Rot. Bonds4

About [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone

[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 26392166) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID26392166
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1
InChIInChI=1S/C19H24N2OS/c1-14(2)15-5-7-17(8-6-15)20-18-4-3-10-21(12-18)19(22)16-9-11-23-13-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3/t18-/m0/s1
InChIKeyPPVHJHDKNGAAMB-SFHVURJKSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
(2-amino-1,3-benzothiazol-5-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42098998
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56915957
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
CID 45245914

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone (CID 26392166) is [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone is CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1.
What is the InChIKey of [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is PPVHJHDKNGAAMB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(2)15-5-7-17(8-6-15)20-18-4-3-10-21(12-18)19(22)16-9-11-23-13-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 328.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 26392166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).