N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide

C12H23N3O2 — CID 63265616

IUPACN-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-14(12(16)11-2-9-17-10-11)7-8-15-5-3-13-4-6-15/h11,13H,2-10H2,1H3
InChIKeyGJYHSPJTRCPEFG-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.61
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide

N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide (PubChem CID 63265616) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
PubChem CID63265616
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-14(12(16)11-2-9-17-10-11)7-8-15-5-3-13-4-6-15/h11,13H,2-10H2,1H3
InChIKeyGJYHSPJTRCPEFG-UHFFFAOYSA-N
XLogP-0.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 81331120
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806598
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255
1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578
N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 113483589
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide (CID 63265616) is N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide is CN(CCN1CCNCC1)C(=O)C1CCOC1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The InChIKey is GJYHSPJTRCPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(12(16)11-2-9-17-10-11)7-8-15-5-3-13-4-6-15/h11,13H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide?
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 63265616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).