(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone

C24H32N4O3 — CID 112840004

IUPAC(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3CCN(Cc4nccn4C)CC3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-26-16-11-25-22(26)17-27-12-7-20(8-13-27)24(30)28-14-9-19(10-15-28)23(29)18-3-5-21(31-2)6-4-18/h3-6,11,16,19-20H,7-10,12-15,17H2,1-2H3
InChIKeyUNMBEXUMMMFDPE-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.76
Rot. Bonds6

About (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 112840004) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
PubChem CID112840004
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3CCN(Cc4nccn4C)CC3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-26-16-11-25-22(26)17-27-12-7-20(8-13-27)24(30)28-14-9-19(10-15-28)23(29)18-3-5-21(31-2)6-4-18/h3-6,11,16,19-20H,7-10,12-15,17H2,1-2H3
InChIKeyUNMBEXUMMMFDPE-UHFFFAOYSA-N
XLogP2.76
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 126807140
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 136577622
(4-benzylsulfonylpiperazin-1-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 112838699
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 126780167
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone (CID 112840004) is (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)C3CCN(Cc4nccn4C)CC3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is UNMBEXUMMMFDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-26-16-11-25-22(26)17-27-12-7-20(8-13-27)24(30)28-14-9-19(10-15-28)23(29)18-3-5-21(31-2)6-4-18/h3-6,11,16,19-20H,7-10,12-15,17H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 112840004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).