[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone

C28H32ClN5O — CID 134501439

IUPAC[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2CCN(c3ccncc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H32ClN5O/c1-22-7-8-23(21-31-11-13-33(14-12-31)27-9-10-30-20-26(27)29)19-25(22)28(35)34-17-15-32(16-18-34)24-5-3-2-4-6-24/h2-10,19-20H,11-18,21H2,1H3
InChIKeyZIWMAHGNWBCNFZ-UHFFFAOYSA-N
MW490.05 g/mol
LogP4.33
Rot. Bonds5

About [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone

[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 134501439) has the molecular formula C28H32ClN5O and a molecular weight of 490.05 g/mol. Its IUPAC name is [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID134501439
Molecular FormulaC28H32ClN5O
Molecular Weight490.05 g/mol
Exact Mass489.23
IUPAC Name[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2CCN(c3ccncc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H32ClN5O/c1-22-7-8-23(21-31-11-13-33(14-12-31)27-9-10-30-20-26(27)29)19-25(22)28(35)34-17-15-32(16-18-34)24-5-3-2-4-6-24/h2-10,19-20H,11-18,21H2,1H3
InChIKeyZIWMAHGNWBCNFZ-UHFFFAOYSA-N
XLogP4.33
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 134513916
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
[5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 134514020
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 134513983
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
(2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226524
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134035746
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone (CID 134501439) is [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(CN2CCN(c3ccncc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZIWMAHGNWBCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O/c1-22-7-8-23(21-31-11-13-33(14-12-31)27-9-10-30-20-26(27)29)19-25(22)28(35)34-17-15-32(16-18-34)24-5-3-2-4-6-24/h2-10,19-20H,11-18,21H2,1H3.
What are the key properties of [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 490.05 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 134501439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).