4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine

C20H31N5 — CID 70771458

IUPAC4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C20H31N5/c1-17-21-8-14-24(17)11-3-10-23-12-6-19(7-13-23)20-22-9-15-25(20)16-18-4-2-5-18/h8-9,14-15,18-19H,2-7,10-13,16H2,1H3
InChIKeyQYAHUUUZGFDJCE-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.46
Rot. Bonds7

About 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine

4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (PubChem CID 70771458) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
PubChem CID70771458
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C20H31N5/c1-17-21-8-14-24(17)11-3-10-23-12-6-19(7-13-23)20-22-9-15-25(20)16-18-4-2-5-18/h8-9,14-15,18-19H,2-7,10-13,16H2,1H3
InChIKeyQYAHUUUZGFDJCE-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

4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
1,3,5-Triazine-2,4-diamine, 6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-
CID 162605
2-Butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
CID 6603041
1,4-Bis[(1-methylimidazol-2-yl)methyl]piperazine
CID 2946281
bis(N-methylimidazole-2-yl)methane
CID 10080906
2-Propyl-1-[3-(2-propylimidazol-1-yl)propyl]imidazole
CID 44139806
(1S,9aR)-1-[(1'-methyl-1H,1'H-2,2'-biimidazol-1-yl)methyl]octahydro-2H-quinolizine
CID 56750596
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 70711544
3-(1-methyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70743009
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine
CID 72856636

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (CID 70771458) is 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is Cc1nccn1CCCN1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The InChIKey is QYAHUUUZGFDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-17-21-8-14-24(17)11-3-10-23-12-6-19(7-13-23)20-22-9-15-25(20)16-18-4-2-5-18/h8-9,14-15,18-19H,2-7,10-13,16H2,1H3.
What are the key properties of 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
4-[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 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 70771458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).