1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

C17H24N4OS — CID 95736354

IUPAC1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)CCc2cscn2)C1
InChIInChI=1S/C17H24N4OS/c1-13(2)17-18-7-9-21(17)15-4-3-8-20(10-15)16(22)6-5-14-11-23-12-19-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3/t15-/m1/s1
InChIKeyNRWHTPZFISQHOJ-OAHLLOKOSA-N
MW332.47 g/mol
LogP3.26
Rot. Bonds5

About 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 95736354) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
PubChem CID95736354
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)CCc2cscn2)C1
InChIInChI=1S/C17H24N4OS/c1-13(2)17-18-7-9-21(17)15-4-3-8-20(10-15)16(22)6-5-14-11-23-12-19-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3/t15-/m1/s1
InChIKeyNRWHTPZFISQHOJ-OAHLLOKOSA-N
XLogP3.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95343040
3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606683
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95736318
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95343954

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (CID 95736354) is 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is CC(C)c1nccn1[C@@H]1CCCN(C(=O)CCc2cscn2)C1.
What is the InChIKey of 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is NRWHTPZFISQHOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13(2)17-18-7-9-21(17)15-4-3-8-20(10-15)16(22)6-5-14-11-23-12-19-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 332.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 95736354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).