[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C15H21N5O — CID 99990711

IUPAC[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@H]2CCn2ccnc2)[nH]1
InChIInChI=1S/C15H21N5O/c1-12-10-17-14(18-12)15(21)20-7-3-2-4-13(20)5-8-19-9-6-16-11-19/h6,9-11,13H,2-5,7-8H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZURHZKHKLRECGP-ZDUSSCGKSA-N
MW287.37 g/mol
LogP2.00
Rot. Bonds4

About [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 99990711) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID99990711
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@H]2CCn2ccnc2)[nH]1
InChIInChI=1S/C15H21N5O/c1-12-10-17-14(18-12)15(21)20-7-3-2-4-13(20)5-8-19-9-6-16-11-19/h6,9-11,13H,2-5,7-8H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZURHZKHKLRECGP-ZDUSSCGKSA-N
XLogP2.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 70780587
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138810233
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 99990711) is [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCCC[C@H]2CCn2ccnc2)[nH]1.
What is the InChIKey of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is ZURHZKHKLRECGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-10-17-14(18-12)15(21)20-7-3-2-4-13(20)5-8-19-9-6-16-11-19/h6,9-11,13H,2-5,7-8H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 99990711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).