tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate

C23H34N2O5 — CID 47088995

IUPACtert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1OCC(=O)N1CCCCC1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-15-9-11-18(25)17-10-7-8-14-24(17)21(26)16-29-20-13-6-5-12-19(20)28-4/h5-6,12-13,17-18H,7-11,14-16H2,1-4H3
InChIKeyDNCHLOIYXTVDRI-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 47088995) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate
PubChem CID47088995
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Nametert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1OCC(=O)N1CCCCC1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-15-9-11-18(25)17-10-7-8-14-24(17)21(26)16-29-20-13-6-5-12-19(20)28-4/h5-6,12-13,17-18H,7-11,14-16H2,1-4H3
InChIKeyDNCHLOIYXTVDRI-UHFFFAOYSA-N
XLogP3.85
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[(2S)-1-[2-(2,5-dimethylphenoxy)acetyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 52511461
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
tert-butyl 2-[amino-(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82308615
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 40875998
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate (CID 47088995) is tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate is COc1ccccc1OCC(=O)N1CCCCC1C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is DNCHLOIYXTVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-15-9-11-18(25)17-10-7-8-14-24(17)21(26)16-29-20-13-6-5-12-19(20)28-4/h5-6,12-13,17-18H,7-11,14-16H2,1-4H3.
What are the key properties of tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate?
tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 418.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 47088995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).