tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate

C16H30N2O2 — CID 115618197

IUPACtert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)8-12-17-11-7-14(13-17)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3
InChIKeyGADQDWQXEAKJRV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.28
Rot. Bonds4

About tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate

tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate (PubChem CID 115618197) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
PubChem CID115618197
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)8-12-17-11-7-14(13-17)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3
InChIKeyGADQDWQXEAKJRV-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
tert-butyl 3-(3-aminopiperidin-1-yl)propanoate
CID 116662806
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
tert-butyl 3-(2-methylthiomorpholin-4-yl)propanoate
CID 115611869
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate (CID 115618197) is tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate is CC(C)(C)OC(=O)CCN1CCC(N2CCCCC2)C1.
What is the InChIKey of tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The InChIKey is GADQDWQXEAKJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)8-12-17-11-7-14(13-17)18-9-5-4-6-10-18/h14H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate has a molecular weight of 282.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 115618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).