1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 65161936

IUPAC1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C16H28N2O3/c19-16(20)15-4-1-8-18(15)13-5-9-17(10-6-13)11-7-14-3-2-12-21-14/h13-15H,1-12H2,(H,19,20)
InChIKeyVIVASBKTLKKFTK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds5

About 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 65161936) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID65161936
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C16H28N2O3/c19-16(20)15-4-1-8-18(15)13-5-9-17(10-6-13)11-7-14-3-2-12-21-14/h13-15H,1-12H2,(H,19,20)
InChIKeyVIVASBKTLKKFTK-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 65161936) is 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(CCC2CCCO2)CC1.
What is the InChIKey of 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is VIVASBKTLKKFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-16(20)15-4-1-8-18(15)13-5-9-17(10-6-13)11-7-14-3-2-12-21-14/h13-15H,1-12H2,(H,19,20).
What are the key properties of 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65161936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).