[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C18H25N5O — CID 72928533

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)[nH]1
InChIInChI=1S/C18H25N5O/c1-13-10-20-16(21-13)18(24)23-8-3-6-15(12-23)17-19-7-9-22(17)11-14-4-2-5-14/h7,9-10,14-15H,2-6,8,11-12H2,1H3,(H,20,21)
InChIKeyFOWPXHHQYLDFND-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.73
Rot. Bonds4

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 72928533) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID72928533
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)[nH]1
InChIInChI=1S/C18H25N5O/c1-13-10-20-16(21-13)18(24)23-8-3-6-15(12-23)17-19-7-9-22(17)11-14-4-2-5-14/h7,9-10,14-15H,2-6,8,11-12H2,1H3,(H,20,21)
InChIKeyFOWPXHHQYLDFND-UHFFFAOYSA-N
XLogP2.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882569
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 72928533) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)[nH]1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is FOWPXHHQYLDFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-10-20-16(21-13)18(24)23-8-3-6-15(12-23)17-19-7-9-22(17)11-14-4-2-5-14/h7,9-10,14-15H,2-6,8,11-12H2,1H3,(H,20,21).
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 72928533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).