3-(1-methylpiperidin-4-yl)prop-2-enamide

C9H16N2O — CID 69009343

IUPAC3-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(C=CC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-11-6-4-8(5-7-11)2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12)
InChIKeyNEBOVXIUETWCRN-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.37
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)prop-2-enamide

3-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 69009343) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID69009343
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(C=CC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-11-6-4-8(5-7-11)2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12)
InChIKeyNEBOVXIUETWCRN-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[[1-[(E)-pent-2-enoyl]piperidin-4-yl]methyl]acetamide
CID 108932933
(E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108932934
2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide
CID 108932935
(E)-4-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108932936
(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one
CID 14248007
(E)-3-(1-methylpiperidin-4-yl)prop-2-enehydrazide
CID 20694731
7-(Diethylamino)-4-methylhept-2-enamide
CID 53901239
2-(1-Methylpiperidin-4-ylidene)acetamide
CID 54121095
4-(1-Methylpiperidin-4-yl)but-3-en-2-one
CID 58128576
1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide
CID 58719861
(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium
CID 59559288
1-Ethyl-5-piperidin-4-ylpyridin-2-one
CID 59627433

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of 3-(1-methylpiperidin-4-yl)prop-2-enamide (CID 69009343) is 3-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)prop-2-enamide is CN1CCC(C=CC(N)=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is NEBOVXIUETWCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-6-4-8(5-7-11)2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12).
What are the key properties of 3-(1-methylpiperidin-4-yl)prop-2-enamide?
3-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 69009343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).