4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide

C13H24N2O2 — CID 106187178

IUPAC4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC=C(C)C)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)4-7-15-12(16)13(10-17-3)5-8-14-9-6-13/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyFRRWTAWMJSTJLV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.09
Rot. Bonds5

About 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide

4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide (PubChem CID 106187178) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
PubChem CID106187178
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC=C(C)C)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)4-7-15-12(16)13(10-17-3)5-8-14-9-6-13/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyFRRWTAWMJSTJLV-UHFFFAOYSA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide (CID 106187178) is 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide is COCC1(C(=O)NCC=C(C)C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide?
The InChIKey is FRRWTAWMJSTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)4-7-15-12(16)13(10-17-3)5-8-14-9-6-13/h4,14H,5-10H2,1-3H3,(H,15,16).
What are the key properties of 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide?
4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 106187178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).