N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide

C15H28N2O2 — CID 106398324

IUPACN-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-4-5-10-19-11-9-17-14(18)15(2,3)13-7-6-8-16-12-13/h4,13,16H,1,5-12H2,2-3H3,(H,17,18)
InChIKeyASFUFZLYJQEBIH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.72
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 106398324) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID106398324
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-4-5-10-19-11-9-17-14(18)15(2,3)13-7-6-8-16-12-13/h4,13,16H,1,5-12H2,2-3H3,(H,17,18)
InChIKeyASFUFZLYJQEBIH-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 106236621
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 115881596
N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 114247975
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
N-(2-but-3-enoxyethyl)piperidine-3-sulfonamide
CID 106402434

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 106398324) is N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide is C=CCCOCCNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is ASFUFZLYJQEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-5-10-19-11-9-17-14(18)15(2,3)13-7-6-8-16-12-13/h4,13,16H,1,5-12H2,2-3H3,(H,17,18).
What are the key properties of N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 106398324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).