(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide

C11H21N3O — CID 166483095

IUPAC(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCCNC(=O)/C=C(\N)C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-13-11(15)8-10(12)9-4-6-14(2)7-5-9/h8-9H,3-7,12H2,1-2H3,(H,13,15)/b10-8-
InChIKeyXHQKRBQLGPAWBJ-NTMALXAHSA-N
MW211.31 g/mol
LogP0.31
Rot. Bonds3

About (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide

(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 166483095) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID166483095
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCCNC(=O)/C=C(\N)C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-13-11(15)8-10(12)9-4-6-14(2)7-5-9/h8-9H,3-7,12H2,1-2H3,(H,13,15)/b10-8-
InChIKeyXHQKRBQLGPAWBJ-NTMALXAHSA-N
XLogP0.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.31
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 (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide (CID 166483095) is (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide is CCNC(=O)/C=C(\N)C1CCN(C)CC1.
What is the InChIKey of (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is XHQKRBQLGPAWBJ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13-11(15)8-10(12)9-4-6-14(2)7-5-9/h8-9H,3-7,12H2,1-2H3,(H,13,15)/b10-8-.
What are the key properties of (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide?
(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 166483095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).