[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

C23H32N4O2 — CID 97275791

IUPAC[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H32N4O2/c1-29-16-15-25-11-7-21(18-25)23(28)26-12-8-20(9-13-26)22-24-10-14-27(22)17-19-5-3-2-4-6-19/h2-6,10,14,20-21H,7-9,11-13,15-18H2,1H3/t21-/m1/s1
InChIKeyXEZUNWBAWYBRRY-OAQYLSRUSA-N
MW396.54 g/mol
LogP2.61
Rot. Bonds7

About [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (PubChem CID 97275791) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
PubChem CID97275791
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H32N4O2/c1-29-16-15-25-11-7-21(18-25)23(28)26-12-8-20(9-13-26)22-24-10-14-27(22)17-19-5-3-2-4-6-19/h2-6,10,14,20-21H,7-9,11-13,15-18H2,1H3/t21-/m1/s1
InChIKeyXEZUNWBAWYBRRY-OAQYLSRUSA-N
XLogP2.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 70746404
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72876467
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (CID 97275791) is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is COCCN1CC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)C1.
What is the InChIKey of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The InChIKey is XEZUNWBAWYBRRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-29-16-15-25-11-7-21(18-25)23(28)26-12-8-20(9-13-26)22-24-10-14-27(22)17-19-5-3-2-4-6-19/h2-6,10,14,20-21H,7-9,11-13,15-18H2,1H3/t21-/m1/s1.
What are the key properties of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone has a molecular weight of 396.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 97275791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).