[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

C17H25N5O — CID 97275870

IUPAC[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H25N5O/c1-3-4-9-21-12-8-18-15(21)14-6-5-10-22(13-14)17(23)16-19-7-11-20(16)2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/t14-/m0/s1
InChIKeyORNGSQCYTPKPLF-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.44
Rot. Bonds5

About [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 97275870) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID97275870
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H25N5O/c1-3-4-9-21-12-8-18-15(21)14-6-5-10-22(13-14)17(23)16-19-7-11-20(16)2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/t14-/m0/s1
InChIKeyORNGSQCYTPKPLF-AWEZNQCLSA-N
XLogP2.44
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 72889190

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 97275870) is [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is CCCCn1ccnc1[C@H]1CCCN(C(=O)c2nccn2C)C1.
What is the InChIKey of [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is ORNGSQCYTPKPLF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-4-9-21-12-8-18-15(21)14-6-5-10-22(13-14)17(23)16-19-7-11-20(16)2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 97275870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).