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

C12H23N3O2 — CID 104856250

IUPAC(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H23N3O2/c1-14(12(16)11-3-2-10-17-11)8-9-15-6-4-13-5-7-15/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyOYXRCZLFEPERAB-NSHDSACASA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds4

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

(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide (PubChem CID 104856250) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
PubChem CID104856250
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H23N3O2/c1-14(12(16)11-3-2-10-17-11)8-9-15-6-4-13-5-7-15/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyOYXRCZLFEPERAB-NSHDSACASA-N
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260081
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide
CID 62214583
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806598
(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443618
(2R)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443617
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide (CID 104856250) is (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide is CN(CCN1CCNCC1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The InChIKey is OYXRCZLFEPERAB-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(12(16)11-3-2-10-17-11)8-9-15-6-4-13-5-7-15/h11,13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 104856250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).