[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone

C17H23N3OS — CID 95215186

IUPAC[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCC(C)n1ccnc1CN1CCC[C@H](C(=O)c2cccs2)C1
InChIInChI=1S/C17H23N3OS/c1-13(2)20-9-7-18-16(20)12-19-8-3-5-14(11-19)17(21)15-6-4-10-22-15/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3/t14-/m0/s1
InChIKeySAHSWAOEVNOPER-AWEZNQCLSA-N
MW317.46 g/mol
LogP3.62
Rot. Bonds5

About [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone

[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 95215186) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID95215186
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCC(C)n1ccnc1CN1CCC[C@H](C(=O)c2cccs2)C1
InChIInChI=1S/C17H23N3OS/c1-13(2)20-9-7-18-16(20)12-19-8-3-5-14(11-19)17(21)15-6-4-10-22-15/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3/t14-/m0/s1
InChIKeySAHSWAOEVNOPER-AWEZNQCLSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
[(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407964
[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407966
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45195158
[(3S)-1-(2-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone
CID 126434812
[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-3-yl]-thiophen-2-ylmethanone;dihydrochloride
CID 154892679
[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135099465
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone (CID 95215186) is [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone is CC(C)n1ccnc1CN1CCC[C@H](C(=O)c2cccs2)C1.
What is the InChIKey of [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is SAHSWAOEVNOPER-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13(2)20-9-7-18-16(20)12-19-8-3-5-14(11-19)17(21)15-6-4-10-22-15/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 317.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 95215186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).