tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate

C25H35N3O7 — CID 22977789

IUPACtert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1
InChIInChI=1S/C25H35N3O7/c1-16(26-24(32)35-25(2,3)4)22(31)28-13-9-8-12-19(28)21(30)27-18-14-20(29)34-23(18)33-15-17-10-6-5-7-11-17/h5-7,10-11,16,18-19,23H,8-9,12-15H2,1-4H3,(H,26,32)(H,27,30)
InChIKeyLMXPMCRQFVQPRZ-UHFFFAOYSA-N
MW489.57 g/mol
LogP2.26
Rot. Bonds7

About tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 22977789) has the molecular formula C25H35N3O7 and a molecular weight of 489.57 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate
PubChem CID22977789
Molecular FormulaC25H35N3O7
Molecular Weight489.57 g/mol
Exact Mass489.25
IUPAC Nametert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1
InChIInChI=1S/C25H35N3O7/c1-16(26-24(32)35-25(2,3)4)22(31)28-13-9-8-12-19(28)21(30)27-18-14-20(29)34-23(18)33-15-17-10-6-5-7-11-17/h5-7,10-11,16,18-19,23H,8-9,12-15H2,1-4H3,(H,26,32)(H,27,30)
InChIKeyLMXPMCRQFVQPRZ-UHFFFAOYSA-N
XLogP2.26
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]propanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59043793
(2S)-1-[(2S)-2-[[4-amino-3-(trifluoromethyl)benzoyl]amino]propanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59043883
(2S)-1-[(2S)-2-[[3-chloro-4-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59043952
(2S)-1-[(2S)-2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]propanoyl]-N-[(2R)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59696791
1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)pyrrolidine-2-carboxamide
CID 91509440
benzyl 2-[[(2R,3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 66870592
(2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide;yttrium
CID 59696786
benzyl (2S)-1-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 13389836
benzyl (2S)-2-[[(2R,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2S,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 157090738
(2S)-1-[(2S)-3,3-dimethyl-2-[(2-methylbenzoyl)amino]butanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 59730823
tert-butyl N-[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 3237360
(2S)-1-[(2S)-2-[(2,5-dimethylbenzoyl)amino]propanoyl]-4,4-dimethyl-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59124517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate (CID 22977789) is tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is LMXPMCRQFVQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O7/c1-16(26-24(32)35-25(2,3)4)22(31)28-13-9-8-12-19(28)21(30)27-18-14-20(29)34-23(18)33-15-17-10-6-5-7-11-17/h5-7,10-11,16,18-19,23H,8-9,12-15H2,1-4H3,(H,26,32)(H,27,30).
What are the key properties of tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 489.57 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 22977789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).