[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H29Cl2N3O2 — CID 43920554

IUPAC[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-31-23-7-3-2-6-22(23)28-11-13-29(14-12-28)24(30)19-5-4-10-27(17-19)16-18-8-9-20(25)21(26)15-18/h2-3,6-9,15,19H,4-5,10-14,16-17H2,1H3
InChIKeyJEPSNJDTBXIEGL-UHFFFAOYSA-N
MW462.42 g/mol
LogP4.56
Rot. Bonds5

About [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 43920554) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID43920554
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-31-23-7-3-2-6-22(23)28-11-13-29(14-12-28)24(30)19-5-4-10-27(17-19)16-18-8-9-20(25)21(26)15-18/h2-3,6-9,15,19H,4-5,10-14,16-17H2,1H3
InChIKeyJEPSNJDTBXIEGL-UHFFFAOYSA-N
XLogP4.56
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124785355
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92685521
[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 43926003
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43932843
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 93492097
1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 43920554) is [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is JEPSNJDTBXIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-31-23-7-3-2-6-22(23)28-11-13-29(14-12-28)24(30)19-5-4-10-27(17-19)16-18-8-9-20(25)21(26)15-18/h2-3,6-9,15,19H,4-5,10-14,16-17H2,1H3.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 462.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43920554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).