(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone

C24H29Cl2N3O — CID 93491661

IUPAC(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-22-9-4-10-23(26)21(22)18-28-11-5-8-20(17-28)24(30)29-14-12-27(13-15-29)16-19-6-2-1-3-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2/t20-/m1/s1
InChIKeyJUNUOHSAKBQWGL-HXUWFJFHSA-N
MW446.42 g/mol
LogP4.55
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 93491661) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID93491661
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-22-9-4-10-23(26)21(22)18-28-11-5-8-20(17-28)24(30)29-14-12-27(13-15-29)16-19-6-2-1-3-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2/t20-/m1/s1
InChIKeyJUNUOHSAKBQWGL-HXUWFJFHSA-N
XLogP4.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
ethyl 4-[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920595
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone (CID 93491661) is (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is JUNUOHSAKBQWGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c25-22-9-4-10-23(26)21(22)18-28-11-5-8-20(17-28)24(30)29-14-12-27(13-15-29)16-19-6-2-1-3-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2/t20-/m1/s1.
What are the key properties of (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 446.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 93491661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).