2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one

C27H36N4O2 — CID 46571664

IUPAC2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C27H36N4O2/c1-22(25(32)30-18-16-29(17-19-30)24-12-8-5-9-13-24)28-14-20-31(21-15-28)26(33)27(2,3)23-10-6-4-7-11-23/h4-13,22H,14-21H2,1-3H3
InChIKeyROTCWKLSPPZDND-UHFFFAOYSA-N
MW448.61 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 46571664) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID46571664
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C27H36N4O2/c1-22(25(32)30-18-16-29(17-19-30)24-12-8-5-9-13-24)28-14-20-31(21-15-28)26(33)27(2,3)23-10-6-4-7-11-23/h4-13,22H,14-21H2,1-3H3
InChIKeyROTCWKLSPPZDND-UHFFFAOYSA-N
XLogP2.85
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482
(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 26183274
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
1-(4-phenylpiperazin-1-yl)-2-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167962160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one (CID 46571664) is 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is ROTCWKLSPPZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-22(25(32)30-18-16-29(17-19-30)24-12-8-5-9-13-24)28-14-20-31(21-15-28)26(33)27(2,3)23-10-6-4-7-11-23/h4-13,22H,14-21H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 448.61 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 46571664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).