ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate

C21H25N3O3 — CID 108867581

IUPACethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-27-21(26)24-15-13-23(14-16-24)20(25)22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,25)
InChIKeyRKYCRYGGQDXZOW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds4

About ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108867581) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
PubChem CID108867581
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-27-21(26)24-15-13-23(14-16-24)20(25)22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,25)
InChIKeyRKYCRYGGQDXZOW-UHFFFAOYSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
CID 6734798
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate (CID 108867581) is ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is RKYCRYGGQDXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-21(26)24-15-13-23(14-16-24)20(25)22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,25).
What are the key properties of ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108867581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).