N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide

C12H22N2O2 — CID 103977188

IUPACN-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c1-9(11-2-5-13-8-11)14-12(15)10-3-6-16-7-4-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeySIVWQECFVLPKJY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds3

About N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide

N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide (PubChem CID 103977188) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
PubChem CID103977188
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c1-9(11-2-5-13-8-11)14-12(15)10-3-6-16-7-4-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeySIVWQECFVLPKJY-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N-(1-pyrrolidin-3-ylethyl)morpholine-4-carboxamide
CID 103977253
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639
N-[1-(oxan-4-yl)ethyl]morpholine-2-carboxamide
CID 103812297
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228
2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114105367
N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260227
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide (CID 103977188) is N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide is CC(NC(=O)C1CCOCC1)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
The InChIKey is SIVWQECFVLPKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(11-2-5-13-8-11)14-12(15)10-3-6-16-7-4-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide?
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 103977188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).