[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

C25H33N3O2 — CID 92685521

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-20-6-5-13-26(18-20)19-21-9-11-22(12-10-21)25(29)28-16-14-27(15-17-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,20H,5-6,13-19H2,1-2H3/t20-/m1/s1
InChIKeyZQZBESPFWFKIIH-HXUWFJFHSA-N
MW407.56 g/mol
LogP3.89
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (PubChem CID 92685521) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
PubChem CID92685521
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-20-6-5-13-26(18-20)19-21-9-11-22(12-10-21)25(29)28-16-14-27(15-17-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,20H,5-6,13-19H2,1-2H3/t20-/m1/s1
InChIKeyZQZBESPFWFKIIH-HXUWFJFHSA-N
XLogP3.89
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone with MolForge

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 93492100
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920554
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92672516
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (CID 92685521) is [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is ZQZBESPFWFKIIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-20-6-5-13-26(18-20)19-21-9-11-22(12-10-21)25(29)28-16-14-27(15-17-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,20H,5-6,13-19H2,1-2H3/t20-/m1/s1.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 407.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 92685521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).