[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C24H32N4O3 — CID 55841866

IUPAC[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)C1
InChIInChI=1S/C24H32N4O3/c1-18-4-3-12-28(16-18)24(30)20-9-13-27(14-10-20)23(29)19-5-7-21(8-6-19)31-17-22-25-11-15-26(22)2/h5-8,11,15,18,20H,3-4,9-10,12-14,16-17H2,1-2H3
InChIKeyXQRHJUNYDBIJLG-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.11
Rot. Bonds5

About [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 55841866) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID55841866
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)C1
InChIInChI=1S/C24H32N4O3/c1-18-4-3-12-28(16-18)24(30)20-9-13-27(14-10-20)23(29)19-5-7-21(8-6-19)31-17-22-25-11-15-26(22)2/h5-8,11,15,18,20H,3-4,9-10,12-14,16-17H2,1-2H3
InChIKeyXQRHJUNYDBIJLG-UHFFFAOYSA-N
XLogP3.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55851771
(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
CID 134796273
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
CID 86985291
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662274
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551679
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830519
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 55841866) is [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)C1.
What is the InChIKey of [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XQRHJUNYDBIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-4-3-12-28(16-18)24(30)20-9-13-27(14-10-20)23(29)19-5-7-21(8-6-19)31-17-22-25-11-15-26(22)2/h5-8,11,15,18,20H,3-4,9-10,12-14,16-17H2,1-2H3.
What are the key properties of [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 424.55 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55841866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).