N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H32N2O3 — CID 120638803

IUPACN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)C2(COC)CCNCC2)CCC1
InChIInChI=1S/C17H32N2O3/c1-3-22-12-9-16(5-4-6-16)13-19-15(20)17(14-21-2)7-10-18-11-8-17/h18H,3-14H2,1-2H3,(H,19,20)
InChIKeyFFWDKDYVAZKSIH-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.72
Rot. Bonds9

About N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120638803) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120638803
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)C2(COC)CCNCC2)CCC1
InChIInChI=1S/C17H32N2O3/c1-3-22-12-9-16(5-4-6-16)13-19-15(20)17(14-21-2)7-10-18-11-8-17/h18H,3-14H2,1-2H3,(H,19,20)
InChIKeyFFWDKDYVAZKSIH-UHFFFAOYSA-N
XLogP1.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120638803) is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCOCCC1(CNC(=O)C2(COC)CCNCC2)CCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is FFWDKDYVAZKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-3-22-12-9-16(5-4-6-16)13-19-15(20)17(14-21-2)7-10-18-11-8-17/h18H,3-14H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120638803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).