3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine

C20H31N5 — CID 72877825

IUPAC3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H31N5/c1-17-21-8-13-24(17)12-4-11-23-10-3-7-19(16-23)20-22-9-14-25(20)15-18-5-2-6-18/h8-9,13-14,18-19H,2-7,10-12,15-16H2,1H3
InChIKeyBCEUICNOLSIMBB-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.46
Rot. Bonds7

About 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine

3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (PubChem CID 72877825) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
PubChem CID72877825
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H31N5/c1-17-21-8-13-24(17)12-4-11-23-10-3-7-19(16-23)20-22-9-14-25(20)15-18-5-2-6-18/h8-9,13-14,18-19H,2-7,10-12,15-16H2,1H3
InChIKeyBCEUICNOLSIMBB-UHFFFAOYSA-N
XLogP3.46
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
2-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97203298
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72928533
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97187343
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
CID 97188278
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (CID 72877825) is 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is Cc1nccn1CCCN1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The InChIKey is BCEUICNOLSIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-17-21-8-13-24(17)12-4-11-23-10-3-7-19(16-23)20-22-9-14-25(20)15-18-5-2-6-18/h8-9,13-14,18-19H,2-7,10-12,15-16H2,1H3.
What are the key properties of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine has a molecular weight of 341.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 72877825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).