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

C19H28N2O4 — CID 113005367

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)19(23)21-11-8-15(9-12-21)18(22)20-10-13-25-17-6-4-16(24-3)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,22)
InChIKeyRAARPDCZZXQMJA-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.08
Rot. Bonds7

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

N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 113005367) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID113005367
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)19(23)21-11-8-15(9-12-21)18(22)20-10-13-25-17-6-4-16(24-3)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,22)
InChIKeyRAARPDCZZXQMJA-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005371
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 113005367) is N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is COc1ccc(OCCNC(=O)C2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is RAARPDCZZXQMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)19(23)21-11-8-15(9-12-21)18(22)20-10-13-25-17-6-4-16(24-3)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).