N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide

C14H26N2O2 — CID 114467819

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
SMILESC=C(C)COCCNC(=O)CCC1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-18-9-8-16-14(17)6-5-13-4-3-7-15-10-13/h13,15H,1,3-11H2,2H3,(H,16,17)
InChIKeyNRYHIONFBZOMRN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.48
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide (PubChem CID 114467819) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
PubChem CID114467819
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
SMILESC=C(C)COCCNC(=O)CCC1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-18-9-8-16-14(17)6-5-13-4-3-7-15-10-13/h13,15H,1,3-11H2,2H3,(H,16,17)
InChIKeyNRYHIONFBZOMRN-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.48
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

(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320862
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
3-(2-methoxyethoxy)-N-(2-piperidin-3-ylethyl)propanamide
CID 119558832
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide (CID 114467819) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide is C=C(C)COCCNC(=O)CCC1CCCNC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide?
The InChIKey is NRYHIONFBZOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)11-18-9-8-16-14(17)6-5-13-4-3-7-15-10-13/h13,15H,1,3-11H2,2H3,(H,16,17).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 114467819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).