(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine

C22H31N3O2 — CID 97202491

IUPAC(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CN2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(OC)c1
InChIInChI=1S/C22H31N3O2/c1-26-20-11-18(12-21(13-20)27-2)14-24-9-4-7-19(16-24)22-23-8-10-25(22)15-17-5-3-6-17/h8,10-13,17,19H,3-7,9,14-16H2,1-2H3/t19-/m1/s1
InChIKeyOHECHBVMPBYVGO-LJQANCHMSA-N
MW369.51 g/mol
LogP4.08
Rot. Bonds7

About (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine

(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine (PubChem CID 97202491) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
PubChem CID97202491
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CN2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(OC)c1
InChIInChI=1S/C22H31N3O2/c1-26-20-11-18(12-21(13-20)27-2)14-24-9-4-7-19(16-24)22-23-8-10-25(22)15-17-5-3-6-17/h8,10-13,17,19H,3-7,9,14-16H2,1-2H3/t19-/m1/s1
InChIKeyOHECHBVMPBYVGO-LJQANCHMSA-N
XLogP4.08
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(1-butylimidazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97188481
1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
CID 70716309
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
2-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97203298
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 70726892

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine (CID 97202491) is (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine is COc1cc(CN2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(OC)c1.
What is the InChIKey of (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine?
The InChIKey is OHECHBVMPBYVGO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-26-20-11-18(12-21(13-20)27-2)14-24-9-4-7-19(16-24)22-23-8-10-25(22)15-17-5-3-6-17/h8,10-13,17,19H,3-7,9,14-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine?
(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine has a molecular weight of 369.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 97202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).