2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C14H24N2O2 — CID 94158736

IUPAC2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C14H24N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,13,17H,1-2,5-12H2/t13-/m1/s1
InChIKeyADVGARRZNCYTSO-CYBMUJFWSA-N
MW252.36 g/mol
LogP0.89
Rot. Bonds7

About 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 94158736) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID94158736
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C14H24N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,13,17H,1-2,5-12H2/t13-/m1/s1
InChIKeyADVGARRZNCYTSO-CYBMUJFWSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 124749240
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037821
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
CID 59303854
CID 59303854
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 94158736) is 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC[C@@H](CO)C1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is ADVGARRZNCYTSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,13,17H,1-2,5-12H2/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 94158736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).