[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone

C22H25N5O — CID 96577048

IUPAC[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cn1
InChIInChI=1S/C22H25N5O/c1-2-20-24-13-19(14-25-20)22(28)27-11-6-9-18(16-27)21-23-10-12-26(21)15-17-7-4-3-5-8-17/h3-5,7-8,10,12-14,18H,2,6,9,11,15-16H2,1H3/t18-/m1/s1
InChIKeySZECVJCXMDVZSG-GOSISDBHSA-N
MW375.48 g/mol
LogP3.30
Rot. Bonds5

About [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone (PubChem CID 96577048) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
PubChem CID96577048
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cn1
InChIInChI=1S/C22H25N5O/c1-2-20-24-13-19(14-25-20)22(28)27-11-6-9-18(16-27)21-23-10-12-26(21)15-17-7-4-3-5-8-17/h3-5,7-8,10,12-14,18H,2,6,9,11,15-16H2,1H3/t18-/m1/s1
InChIKeySZECVJCXMDVZSG-GOSISDBHSA-N
XLogP3.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97196287
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 96578463
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone (CID 96577048) is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone is CCc1ncc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cn1.
What is the InChIKey of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone?
The InChIKey is SZECVJCXMDVZSG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-20-24-13-19(14-25-20)22(28)27-11-6-9-18(16-27)21-23-10-12-26(21)15-17-7-4-3-5-8-17/h3-5,7-8,10,12-14,18H,2,6,9,11,15-16H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone?
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 96577048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).