tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate

C30H34N2O4 — CID 25223091

IUPACtert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C1
InChIInChI=1S/C30H34N2O4/c1-30(2,3)36-29(34)32-18-8-11-25(20-32)28(33)31-26-12-7-13-27(19-26)35-21-22-14-16-24(17-15-22)23-9-5-4-6-10-23/h4-7,9-10,12-17,19,25H,8,11,18,20-21H2,1-3H3,(H,31,33)
InChIKeyKSPRGEDLPOISGT-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.52
Rot. Bonds6

About tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 25223091) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID25223091
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Nametert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C1
InChIInChI=1S/C30H34N2O4/c1-30(2,3)36-29(34)32-18-8-11-25(20-32)28(33)31-26-12-7-13-27(19-26)35-21-22-14-16-24(17-15-22)23-9-5-4-6-10-23/h4-7,9-10,12-17,19,25H,8,11,18,20-21H2,1-3H3,(H,31,33)
InChIKeyKSPRGEDLPOISGT-UHFFFAOYSA-N
XLogP6.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 25224185
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
tert-butyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280915
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate (CID 25223091) is tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C1.
What is the InChIKey of tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is KSPRGEDLPOISGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-30(2,3)36-29(34)32-18-8-11-25(20-32)28(33)31-26-12-7-13-27(19-26)35-21-22-14-16-24(17-15-22)23-9-5-4-6-10-23/h4-7,9-10,12-17,19,25H,8,11,18,20-21H2,1-3H3,(H,31,33).
What are the key properties of tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 25223091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).