[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone

C28H33N3O4 — CID 3867153

IUPAC[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCCOCCOCCn1ccnc1C1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H33N3O4/c1-2-34-20-21-35-19-18-30-17-14-29-27(30)24-12-15-31(16-13-24)28(33)25-10-8-23(9-11-25)26(32)22-6-4-3-5-7-22/h3-11,14,17,24H,2,12-13,15-16,18-21H2,1H3
InChIKeyGCAOKESCOKPJAY-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.19
Rot. Bonds11

About [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone

[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 3867153) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID3867153
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCCOCCOCCn1ccnc1C1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H33N3O4/c1-2-34-20-21-35-19-18-30-17-14-29-27(30)24-12-15-31(16-13-24)28(33)25-10-8-23(9-11-25)26(32)22-6-4-3-5-7-22/h3-11,14,17,24H,2,12-13,15-16,18-21H2,1H3
InChIKeyGCAOKESCOKPJAY-UHFFFAOYSA-N
XLogP4.19
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3312454
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 72909280
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine
CID 3419642
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 5015414
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 72892075
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 72897232
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548

Frequently Asked Questions

What is the IUPAC name of [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone (CID 3867153) is [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone is CCOCCOCCn1ccnc1C1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is GCAOKESCOKPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-2-34-20-21-35-19-18-30-17-14-29-27(30)24-12-15-31(16-13-24)28(33)25-10-8-23(9-11-25)26(32)22-6-4-3-5-7-22/h3-11,14,17,24H,2,12-13,15-16,18-21H2,1H3.
What are the key properties of [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone?
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 475.59 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 3867153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).