N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide

C21H33N3O3 — CID 108561260

IUPACN,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3/c1-4-23(5-2)21(26)24-14-12-18(13-15-24)22-20(25)11-8-16-27-19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25)
InChIKeyOKDATSKICKSEIM-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.20
Rot. Bonds8

About N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide

N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide (PubChem CID 108561260) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
PubChem CID108561260
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3/c1-4-23(5-2)21(26)24-14-12-18(13-15-24)22-20(25)11-8-16-27-19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25)
InChIKeyOKDATSKICKSEIM-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108553741
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide (CID 108561260) is N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1.
What is the InChIKey of N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The InChIKey is OKDATSKICKSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-23(5-2)21(26)24-14-12-18(13-15-24)22-20(25)11-8-16-27-19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25).
What are the key properties of N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 108561260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).