N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide

C13H24N2O — CID 79721059

IUPACN-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=C(C)C
InChIInChI=1S/C13H24N2O/c1-4-15(13(16)9-11(2)3)10-12-5-7-14-8-6-12/h9,12,14H,4-8,10H2,1-3H3
InChIKeyXQOFBJAVKHZFPT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds4

About N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide

N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide (PubChem CID 79721059) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
PubChem CID79721059
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=C(C)C
InChIInChI=1S/C13H24N2O/c1-4-15(13(16)9-11(2)3)10-12-5-7-14-8-6-12/h9,12,14H,4-8,10H2,1-3H3
InChIKeyXQOFBJAVKHZFPT-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
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

N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
2-acetamido-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79721132
N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
N-ethyl-2,2,3,3-tetramethyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 79720902
3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700874
N-[2-(dimethylamino)ethyl]-N-(piperidin-4-ylmethyl)acetamide
CID 69300106
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 79720897
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
3-cyclohexyl-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 79720313
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The IUPAC name of N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide (CID 79721059) is N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The canonical SMILES for N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide is CCN(CC1CCNCC1)C(=O)C=C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The InChIKey is XQOFBJAVKHZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(13(16)9-11(2)3)10-12-5-7-14-8-6-12/h9,12,14H,4-8,10H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 79721059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).