phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone

C28H28N2O3 — CID 38031441

IUPACphenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N2O3/c1-20(2)21-12-14-23(15-13-21)27(32)29-16-18-30(19-17-29)28(33)25-11-7-6-10-24(25)26(31)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3
InChIKeyLKDIYIRJDPAGDO-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.64
Rot. Bonds5

About phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone

phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone (PubChem CID 38031441) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
PubChem CID38031441
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Namephenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N2O3/c1-20(2)21-12-14-23(15-13-21)27(32)29-16-18-30(19-17-29)28(33)25-11-7-6-10-24(25)26(31)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3
InChIKeyLKDIYIRJDPAGDO-UHFFFAOYSA-N
XLogP4.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone?
The IUPAC name of phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone (CID 38031441) is phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone?
The canonical SMILES for phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone is CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone?
The InChIKey is LKDIYIRJDPAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-20(2)21-12-14-23(15-13-21)27(32)29-16-18-30(19-17-29)28(33)25-11-7-6-10-24(25)26(31)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3.
What are the key properties of phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone?
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone has a molecular weight of 440.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 38031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).