(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide

C12H22N2O3 — CID 104856278

IUPAC(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
SMILESO=C(NCCOC1CCNCC1)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O3/c15-12(11-2-1-8-17-11)14-7-9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyYEVVGBNPEHNFGJ-NSHDSACASA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds5

About (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide

(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide (PubChem CID 104856278) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
PubChem CID104856278
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
SMILESO=C(NCCOC1CCNCC1)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O3/c15-12(11-2-1-8-17-11)14-7-9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyYEVVGBNPEHNFGJ-NSHDSACASA-N
XLogP0.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-(2-cycloheptyloxyethyl)morpholine-2-carboxamide;hydrochloride
CID 119786670
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63952971
N-(2-piperidin-4-yloxyethyl)cyclopent-3-ene-1-carboxamide
CID 64767379
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
CID 79161980
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide (CID 104856278) is (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide is O=C(NCCOC1CCNCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide?
The InChIKey is YEVVGBNPEHNFGJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c15-12(11-2-1-8-17-11)14-7-9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide?
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 104856278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).