2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate

C22H26N2O3 — CID 108567740

IUPAC2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(2)16-27-22(26)24-14-12-23(13-15-24)21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3
InChIKeyZOTBNZIQKVWNFX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.90
Rot. Bonds4

About 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate

2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate (PubChem CID 108567740) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
PubChem CID108567740
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(2)16-27-22(26)24-14-12-23(13-15-24)21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3
InChIKeyZOTBNZIQKVWNFX-UHFFFAOYSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CID 108567941
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
2-methylpropyl 4-(2-iodobenzoyl)piperazine-1-carboxylate
CID 55978583
2-methylpropyl 4-(2-bromobenzoyl)piperazine-1-carboxylate
CID 108567870
2-methylpropyl 4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568215
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451
(1-methylcycloprop-2-en-1-yl) 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 143267121
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
2-methylpropyl 4-(isoquinoline-1-carbonyl)piperazine-1-carboxylate
CID 51130465
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate (CID 108567740) is 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
The InChIKey is ZOTBNZIQKVWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(2)16-27-22(26)24-14-12-23(13-15-24)21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate?
2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108567740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).