(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine

C15H23N5 — CID 124970369

IUPAC(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCCn1cc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C15H23N5/c1-3-20-10-13(8-17-20)9-19-6-4-5-14(11-19)15-16-7-12(2)18-15/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyJPRYTVGHTSREFD-CQSZACIVSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds4

About (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine

(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine (PubChem CID 124970369) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
PubChem CID124970369
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCCn1cc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C15H23N5/c1-3-20-10-13(8-17-20)9-19-6-4-5-14(11-19)15-16-7-12(2)18-15/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyJPRYTVGHTSREFD-CQSZACIVSA-N
XLogP2.31
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104068
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813665
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine (CID 124970369) is (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine is CCn1cc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1.
What is the InChIKey of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The InChIKey is JPRYTVGHTSREFD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-20-10-13(8-17-20)9-19-6-4-5-14(11-19)15-16-7-12(2)18-15/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine?
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 124970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).