tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate

C26H35N3O3 — CID 54190281

IUPACtert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H35N3O3/c1-26(2,3)32-25(31)29(23(24(27)30)18-20-10-6-4-7-11-20)22-14-16-28(17-15-22)19-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H2,27,30)
InChIKeyPIAMYPMXQXRIGF-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.98
Rot. Bonds7

About tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate

tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate (PubChem CID 54190281) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
PubChem CID54190281
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Nametert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H35N3O3/c1-26(2,3)32-25(31)29(23(24(27)30)18-20-10-6-4-7-11-20)22-14-16-28(17-15-22)19-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H2,27,30)
InChIKeyPIAMYPMXQXRIGF-UHFFFAOYSA-N
XLogP3.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)amino]-3-phenylpropanoate
CID 14997630
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-[chloro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 174543785
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
CID 46175795
(2S)-2-[benzoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 11316930
tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10598474
tert-butyl 2-[(1-benzylpiperidin-4-yl)oxymethyl]-3-methylbutanoate
CID 175401006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate (CID 54190281) is tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C(Cc1ccccc1)C(N)=O.
What is the InChIKey of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate?
The InChIKey is PIAMYPMXQXRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-26(2,3)32-25(31)29(23(24(27)30)18-20-10-6-4-7-11-20)22-14-16-28(17-15-22)19-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H2,27,30).
What are the key properties of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate?
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate has a molecular weight of 437.58 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate is sourced from PubChem (CID 54190281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).