tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate

C24H37N3O6 — CID 59731884

IUPACtert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1cccnc1NC(=O)C(C)(C)C
InChIInChI=1S/C24H37N3O6/c1-23(2,3)21(30)26-19-16(9-8-12-25-19)18(28)17(20(29)32-7)15-10-13-27(14-11-15)22(31)33-24(4,5)6/h8-9,12,15,17-18,28H,10-11,13-14H2,1-7H3,(H,25,26,30)
InChIKeyCGQNSZRQPDYPJE-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate (PubChem CID 59731884) has the molecular formula C24H37N3O6 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate
PubChem CID59731884
Molecular FormulaC24H37N3O6
Molecular Weight463.58 g/mol
Exact Mass463.27
IUPAC Nametert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1cccnc1NC(=O)C(C)(C)C
InChIInChI=1S/C24H37N3O6/c1-23(2,3)21(30)26-19-16(9-8-12-25-19)18(28)17(20(29)32-7)15-10-13-27(14-11-15)22(31)33-24(4,5)6/h8-9,12,15,17-18,28H,10-11,13-14H2,1-7H3,(H,25,26,30)
InChIKeyCGQNSZRQPDYPJE-UHFFFAOYSA-N
XLogP3.54
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
CID 129392250
tert-butyl (3S)-3-[(2-methoxy-3-pyridinyl)-sulfanylmethyl]pyrrolidine-1-carboxylate
CID 153376763
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 5-(2-methoxycarbonyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 170904014
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[hydroxy-(2-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 134346134
tert-butyl 3-[(2-aminophenyl)-hydroxymethyl]pyrrolidine-1-carboxylate
CID 83855752

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate (CID 59731884) is tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate is COC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1cccnc1NC(=O)C(C)(C)C.
What is the InChIKey of tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate?
The InChIKey is CGQNSZRQPDYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O6/c1-23(2,3)21(30)26-19-16(9-8-12-25-19)18(28)17(20(29)32-7)15-10-13-27(14-11-15)22(31)33-24(4,5)6/h8-9,12,15,17-18,28H,10-11,13-14H2,1-7H3,(H,25,26,30).
What are the key properties of tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).