2-but-3-enoxy-N-piperidin-3-ylpropanamide

C12H22N2O2 — CID 119429167

IUPAC2-but-3-enoxy-N-piperidin-3-ylpropanamide
SMILESC=CCCOC(C)C(=O)NC1CCCNC1
InChIInChI=1S/C12H22N2O2/c1-3-4-8-16-10(2)12(15)14-11-6-5-7-13-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyPRNQHYSIVKAJHZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds6

About 2-but-3-enoxy-N-piperidin-3-ylpropanamide

2-but-3-enoxy-N-piperidin-3-ylpropanamide (PubChem CID 119429167) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-but-3-enoxy-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-piperidin-3-ylpropanamide
PubChem CID119429167
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-but-3-enoxy-N-piperidin-3-ylpropanamide
SMILESC=CCCOC(C)C(=O)NC1CCCNC1
InChIInChI=1S/C12H22N2O2/c1-3-4-8-16-10(2)12(15)14-11-6-5-7-13-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyPRNQHYSIVKAJHZ-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
N-cyclopentyl-2-(2-piperidin-3-ylethoxy)propanamide
CID 62357689
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
CID 119424701
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504
2-but-3-enoxypropanoic acid
CID 43128770
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-piperidin-3-ylpropanamide?
The IUPAC name of 2-but-3-enoxy-N-piperidin-3-ylpropanamide (CID 119429167) is 2-but-3-enoxy-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-but-3-enoxy-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2-but-3-enoxy-N-piperidin-3-ylpropanamide is C=CCCOC(C)C(=O)NC1CCCNC1.
What is the InChIKey of 2-but-3-enoxy-N-piperidin-3-ylpropanamide?
The InChIKey is PRNQHYSIVKAJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-8-16-10(2)12(15)14-11-6-5-7-13-9-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of 2-but-3-enoxy-N-piperidin-3-ylpropanamide?
2-but-3-enoxy-N-piperidin-3-ylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119429167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).