benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate

C28H30N2O3 — CID 23600667

IUPACbenzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c31-26(29-21-24-12-6-2-7-13-24)28(20-23-10-4-1-5-11-23)16-18-30(19-17-28)27(32)33-22-25-14-8-3-9-15-25/h1-15H,16-22H2,(H,29,31)
InChIKeyGJZFUGKJWUNDMK-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.96
Rot. Bonds7

About benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate

benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate (PubChem CID 23600667) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
PubChem CID23600667
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Namebenzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c31-26(29-21-24-12-6-2-7-13-24)28(20-23-10-4-1-5-11-23)16-18-30(19-17-28)27(32)33-22-25-14-8-3-9-15-25/h1-15H,16-22H2,(H,29,31)
InChIKeyGJZFUGKJWUNDMK-UHFFFAOYSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-benzyl-4-[(E)-5-phenylpent-2-enoyl]piperidine-1-carboxylate
CID 70851267
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl (3S)-3-[2-(2-ethoxyethylamino)-2-oxoethyl]-3-(2-ethoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 96539823
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246
3-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 19691484
benzyl piperidine-1-carboxylate
CID 158057698

Frequently Asked Questions

What is the IUPAC name of benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate (CID 23600667) is benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is GJZFUGKJWUNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c31-26(29-21-24-12-6-2-7-13-24)28(20-23-10-4-1-5-11-23)16-18-30(19-17-28)27(32)33-22-25-14-8-3-9-15-25/h1-15H,16-22H2,(H,29,31).
What are the key properties of benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate?
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 442.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 23600667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).