1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H28N2O2S — CID 111467106

IUPAC1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC(C)(O)c2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-12-17(4,21)14-6-5-11-22-14/h5-6,11,13,18,21H,7-10,12H2,1-4H3
InChIKeyRCVCQQFAMXSFSJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.58
Rot. Bonds4

About 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 111467106) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID111467106
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC(C)(O)c2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-12-17(4,21)14-6-5-11-22-14/h5-6,11,13,18,21H,7-10,12H2,1-4H3
InChIKeyRCVCQQFAMXSFSJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

tert-butyl (3R)-3-[[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]amino]pyrrolidine-1-carboxylate
CID 97071807
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111440902
1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115689454
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115751394
ethyl 4-[[N'-(2-hydroxy-2-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111823829
(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 124861861
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 111467106) is 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NCC(C)(O)c2cccs2)CC1.
What is the InChIKey of 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RCVCQQFAMXSFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-12-17(4,21)14-6-5-11-22-14/h5-6,11,13,18,21H,7-10,12H2,1-4H3.
What are the key properties of 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 324.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 111467106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).