4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide

C21H31ClN2O3 — CID 49380926

IUPAC4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)24-13-11-17(12-14-24)23-20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,25)
InChIKeyOKFFEYZWJQIGAH-UHFFFAOYSA-N
MW394.94 g/mol
LogP4.04
Rot. Bonds9

About 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide

4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide (PubChem CID 49380926) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
PubChem CID49380926
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)24-13-11-17(12-14-24)23-20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,25)
InChIKeyOKFFEYZWJQIGAH-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 54.04
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

4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide (CID 49380926) is 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide is CCC(CC)C(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide?
The InChIKey is OKFFEYZWJQIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)24-13-11-17(12-14-24)23-20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide?
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide has a molecular weight of 394.94 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 49380926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).