2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide

C13H24N2O2 — CID 56787482

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-14-13(17)10(2)15-8-5-12(6-9-15)11(3)16/h4,10-12,16H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyAWNFZMJWEUKETE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 56787482) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID56787482
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-14-13(17)10(2)15-8-5-12(6-9-15)11(3)16/h4,10-12,16H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyAWNFZMJWEUKETE-UHFFFAOYSA-N
XLogP0.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 95309166
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 62655712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide (CID 56787482) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCC(C(C)O)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is AWNFZMJWEUKETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-14-13(17)10(2)15-8-5-12(6-9-15)11(3)16/h4,10-12,16H,1,5-9H2,2-3H3,(H,14,17).
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 56787482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).