N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C20H28N2O5 — CID 113005371

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H28N2O5/c1-25-16-4-6-17(7-5-16)26-14-10-21-19(23)15-8-11-22(12-9-15)20(24)18-3-2-13-27-18/h4-7,15,18H,2-3,8-14H2,1H3,(H,21,23)
InChIKeySOIXDUJQULBVDQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 113005371) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID113005371
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H28N2O5/c1-25-16-4-6-17(7-5-16)26-14-10-21-19(23)15-8-11-22(12-9-15)20(24)18-3-2-13-27-18/h4-7,15,18H,2-3,8-14H2,1H3,(H,21,23)
InChIKeySOIXDUJQULBVDQ-UHFFFAOYSA-N
XLogP1.61
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
N-[(4-methoxyphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3309593
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133327
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301611
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 113005371) is N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is COc1ccc(OCCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SOIXDUJQULBVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-16-4-6-17(7-5-16)26-14-10-21-19(23)15-8-11-22(12-9-15)20(24)18-3-2-13-27-18/h4-7,15,18H,2-3,8-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).