[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C21H28N4O2 — CID 72874168

IUPAC[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(CCc3ncc[nH]3)CC2)cc1)N1CCCC1
InChIInChI=1S/C21H28N4O2/c26-21(25-12-1-2-13-25)17-3-5-18(6-4-17)27-19-7-14-24(15-8-19)16-9-20-22-10-11-23-20/h3-6,10-11,19H,1-2,7-9,12-16H2,(H,22,23)
InChIKeyBIYWJVBFIUFTIN-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds6

About [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 72874168) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID72874168
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(CCc3ncc[nH]3)CC2)cc1)N1CCCC1
InChIInChI=1S/C21H28N4O2/c26-21(25-12-1-2-13-25)17-3-5-18(6-4-17)27-19-7-14-24(15-8-19)16-9-20-22-10-11-23-20/h3-6,10-11,19H,1-2,7-9,12-16H2,(H,22,23)
InChIKeyBIYWJVBFIUFTIN-UHFFFAOYSA-N
XLogP2.73
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 72886728
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 24990498
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25446255
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 72874168) is [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(OC2CCN(CCc3ncc[nH]3)CC2)cc1)N1CCCC1.
What is the InChIKey of [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BIYWJVBFIUFTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(25-12-1-2-13-25)17-3-5-18(6-4-17)27-19-7-14-24(15-8-19)16-9-20-22-10-11-23-20/h3-6,10-11,19H,1-2,7-9,12-16H2,(H,22,23).
What are the key properties of [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 368.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72874168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).