N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide

C17H32N2O3 — CID 119812194

IUPACN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)C2(OC)CCNCC2)CCCC1
InChIInChI=1S/C17H32N2O3/c1-3-22-13-10-16(6-4-5-7-16)14-19-15(20)17(21-2)8-11-18-12-9-17/h18H,3-14H2,1-2H3,(H,19,20)
InChIKeyQAKZALMXRZUQER-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.86
Rot. Bonds8

About N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide

N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119812194) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119812194
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)C2(OC)CCNCC2)CCCC1
InChIInChI=1S/C17H32N2O3/c1-3-22-13-10-16(6-4-5-7-16)14-19-15(20)17(21-2)8-11-18-12-9-17/h18H,3-14H2,1-2H3,(H,19,20)
InChIKeyQAKZALMXRZUQER-UHFFFAOYSA-N
XLogP1.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.86
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)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119812194) is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide is CCOCCC1(CNC(=O)C2(OC)CCNCC2)CCCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QAKZALMXRZUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-3-22-13-10-16(6-4-5-7-16)14-19-15(20)17(21-2)8-11-18-12-9-17/h18H,3-14H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119812194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).