tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate

C28H36N2O3 — CID 137373103

IUPACtert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(C3CC3)cc2)c2ccccc2)CC1
InChIInChI=1S/C28H36N2O3/c1-28(2,3)33-27(32)30-17-15-20(16-18-30)19-25(23-7-5-4-6-8-23)29-26(31)24-13-11-22(12-14-24)21-9-10-21/h4-8,11-14,20-21,25H,9-10,15-19H2,1-3H3,(H,29,31)
InChIKeySDSRZGODTLRTEC-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.07
Rot. Bonds6

About tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate (PubChem CID 137373103) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
PubChem CID137373103
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Nametert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(C3CC3)cc2)c2ccccc2)CC1
InChIInChI=1S/C28H36N2O3/c1-28(2,3)33-27(32)30-17-15-20(16-18-30)19-25(23-7-5-4-6-8-23)29-26(31)24-13-11-22(12-14-24)21-9-10-21/h4-8,11-14,20-21,25H,9-10,15-19H2,1-3H3,(H,29,31)
InChIKeySDSRZGODTLRTEC-UHFFFAOYSA-N
XLogP6.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[(3,4-dichlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373331
tert-butyl 4-[2-[(5-methylthiophene-3-carbonyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373079
tert-butyl 4-[2-[(3-chloro-4-fluorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373137
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
2,2-dimethylpropyl 4-[2-[(4-chlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373327
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-[3-(benzylamino)-2-[(4-fluorobenzoyl)amino]propyl]piperidine-1-carboxylate
CID 137373334
tert-butyl 4-[(2S)-2-[(4-chlorobenzoyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylate
CID 137373052
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate (CID 137373103) is tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(C3CC3)cc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate?
The InChIKey is SDSRZGODTLRTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-28(2,3)33-27(32)30-17-15-20(16-18-30)19-25(23-7-5-4-6-8-23)29-26(31)24-13-11-22(12-14-24)21-9-10-21/h4-8,11-14,20-21,25H,9-10,15-19H2,1-3H3,(H,29,31).
What are the key properties of tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate has a molecular weight of 448.61 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 137373103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).