3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide

C15H28N2O3 — CID 63952971

IUPAC3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
SMILESO=C(CCC1CCCCO1)NCCOC1CCNCC1
InChIInChI=1S/C15H28N2O3/c18-15(5-4-13-3-1-2-11-19-13)17-10-12-20-14-6-8-16-9-7-14/h13-14,16H,1-12H2,(H,17,18)
InChIKeyYRFLLPPQFXQGKZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.22
Rot. Bonds7

About 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide

3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide (PubChem CID 63952971) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
PubChem CID63952971
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
SMILESO=C(CCC1CCCCO1)NCCOC1CCNCC1
InChIInChI=1S/C15H28N2O3/c18-15(5-4-13-3-1-2-11-19-13)17-10-12-20-14-6-8-16-9-7-14/h13-14,16H,1-12H2,(H,17,18)
InChIKeyYRFLLPPQFXQGKZ-UHFFFAOYSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.22
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-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
3-(oxan-2-yl)-N-(2-piperidin-2-ylethyl)propanamide
CID 63952925
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide?
The IUPAC name of 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide (CID 63952971) is 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide.
What is the SMILES notation for 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide?
The canonical SMILES for 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide is O=C(CCC1CCCCO1)NCCOC1CCNCC1.
What is the InChIKey of 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide?
The InChIKey is YRFLLPPQFXQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-15(5-4-13-3-1-2-11-19-13)17-10-12-20-14-6-8-16-9-7-14/h13-14,16H,1-12H2,(H,17,18).
What are the key properties of 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide?
3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide is sourced from PubChem (CID 63952971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).