N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide

C12H22N2O2 — CID 63629072

IUPACN-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCCO1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-1-2-8-16-11)14-7-5-10-4-6-13-9-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeySFUKBWUROSFNLG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide

N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide (PubChem CID 63629072) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide
PubChem CID63629072
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCCO1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-1-2-8-16-11)14-7-5-10-4-6-13-9-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeySFUKBWUROSFNLG-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
CID 81331227
N-[(3R)-pyrrolidin-3-yl]oxane-2-carboxamide
CID 79689498
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
5-methyl-N-(2-piperidin-3-ylethyl)oxolane-2-carboxamide
CID 81331259
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114826399
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide (CID 63629072) is N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide is O=C(NCCC1CCNC1)C1CCCCO1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide?
The InChIKey is SFUKBWUROSFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(11-3-1-2-8-16-11)14-7-5-10-4-6-13-9-10/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide?
N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide is sourced from PubChem (CID 63629072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).