(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone

C24H28BrN3O2 — CID 1209997

IUPAC(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28BrN3O2/c25-22-8-6-20(7-9-22)23(29)27-12-10-21(11-13-27)24(30)28-16-14-26(15-17-28)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2
InChIKeyLNAKPWZCKAPISA-UHFFFAOYSA-N
MW470.41 g/mol
LogP3.65
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone (PubChem CID 1209997) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
PubChem CID1209997
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28BrN3O2/c25-22-8-6-20(7-9-22)23(29)27-12-10-21(11-13-27)24(30)28-16-14-26(15-17-28)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2
InChIKeyLNAKPWZCKAPISA-UHFFFAOYSA-N
XLogP3.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone (CID 1209997) is (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone?
The InChIKey is LNAKPWZCKAPISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O2/c25-22-8-6-20(7-9-22)23(29)27-12-10-21(11-13-27)24(30)28-16-14-26(15-17-28)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone has a molecular weight of 470.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1209997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).