tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate

C24H32N4O4 — CID 58651195

IUPACtert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)26-19(17-18-9-7-8-12-25-18)22(29)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-4/h5-12,19H,13-17H2,1-4H3,(H,26,30)/t19-/m1/s1
InChIKeyRFSTZCHRDNMFFI-LJQANCHMSA-N
MW440.54 g/mol
LogP2.87
Rot. Bonds6

About tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate (PubChem CID 58651195) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
PubChem CID58651195
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)26-19(17-18-9-7-8-12-25-18)22(29)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-4/h5-12,19H,13-17H2,1-4H3,(H,26,30)/t19-/m1/s1
InChIKeyRFSTZCHRDNMFFI-LJQANCHMSA-N
XLogP2.87
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
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tert-butyl N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
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tert-butyl N-[1-oxo-3-phenyl-1-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate
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CID 6723925
tert-butyl N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]carbamate
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CID 15549623
tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-yl-3-pyridinyl)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate (CID 58651195) is tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate is COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The InChIKey is RFSTZCHRDNMFFI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)26-19(17-18-9-7-8-12-25-18)22(29)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-4/h5-12,19H,13-17H2,1-4H3,(H,26,30)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 58651195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).