[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

C22H25N5O2 — CID 72858370

IUPAC[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C22H25N5O2/c1-29-13-12-26-11-9-23-21(26)18-8-5-10-27(16-18)22(28)19-14-24-20(25-15-19)17-6-3-2-4-7-17/h2-4,6-7,9,11,14-15,18H,5,8,10,12-13,16H2,1H3
InChIKeyLRTKIXYKCTUVLU-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.01
Rot. Bonds6

About [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 72858370) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
PubChem CID72858370
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C22H25N5O2/c1-29-13-12-26-11-9-23-21(26)18-8-5-10-27(16-18)22(28)19-14-24-20(25-15-19)17-6-3-2-4-7-17/h2-4,6-7,9,11,14-15,18H,5,8,10,12-13,16H2,1H3
InChIKeyLRTKIXYKCTUVLU-UHFFFAOYSA-N
XLogP3.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280731
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 72863488

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (CID 72858370) is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is COCCn1ccnc1C1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is LRTKIXYKCTUVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-13-12-26-11-9-23-21(26)18-8-5-10-27(16-18)22(28)19-14-24-20(25-15-19)17-6-3-2-4-7-17/h2-4,6-7,9,11,14-15,18H,5,8,10,12-13,16H2,1H3.
What are the key properties of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72858370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).