(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide

C11H21N3O — CID 163525562

IUPAC(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H21N3O/c1-14(2)8-4-6-11(15)13-10-5-3-7-12-9-10/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,15)/b6-4+/t10-/m0/s1
InChIKeyDOLMVEDAYADGEB-RWCYGVJQSA-N
MW211.31 g/mol
LogP-0.03
Rot. Bonds4

About (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide

(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide (PubChem CID 163525562) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
PubChem CID163525562
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H21N3O/c1-14(2)8-4-6-11(15)13-10-5-3-7-12-9-10/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,15)/b6-4+/t10-/m0/s1
InChIKeyDOLMVEDAYADGEB-RWCYGVJQSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide (CID 163525562) is (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide is CN(C)C/C=C/C(=O)N[C@H]1CCCNC1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide?
The InChIKey is DOLMVEDAYADGEB-RWCYGVJQSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(2)8-4-6-11(15)13-10-5-3-7-12-9-10/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,15)/b6-4+/t10-/m0/s1.
What are the key properties of (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide?
(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide has a molecular weight of 211.31 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide is sourced from PubChem (CID 163525562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).