N-(2-piperazin-1-ylethyl)oxane-3-carboxamide

C12H23N3O2 — CID 55109658

IUPACN-(2-piperazin-1-ylethyl)oxane-3-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCOC1
InChIInChI=1S/C12H23N3O2/c16-12(11-2-1-9-17-10-11)14-5-8-15-6-3-13-4-7-15/h11,13H,1-10H2,(H,14,16)
InChIKeyMMMBNOVDTRNJGJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.57
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)oxane-3-carboxamide

N-(2-piperazin-1-ylethyl)oxane-3-carboxamide (PubChem CID 55109658) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)oxane-3-carboxamide
PubChem CID55109658
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-piperazin-1-ylethyl)oxane-3-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCOC1
InChIInChI=1S/C12H23N3O2/c16-12(11-2-1-9-17-10-11)14-5-8-15-6-3-13-4-7-15/h11,13H,1-10H2,(H,14,16)
InChIKeyMMMBNOVDTRNJGJ-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
CID 146329997
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
1,1-dioxo-N-(2-piperazin-1-ylethyl)thiane-2-carboxamide
CID 104517894

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)oxane-3-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)oxane-3-carboxamide (CID 55109658) is N-(2-piperazin-1-ylethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)oxane-3-carboxamide is O=C(NCCN1CCNCC1)C1CCCOC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)oxane-3-carboxamide?
The InChIKey is MMMBNOVDTRNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-12(11-2-1-9-17-10-11)14-5-8-15-6-3-13-4-7-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of N-(2-piperazin-1-ylethyl)oxane-3-carboxamide?
N-(2-piperazin-1-ylethyl)oxane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)oxane-3-carboxamide is sourced from PubChem (CID 55109658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).