4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide

C18H25ClN2O3 — CID 108553694

IUPAC4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3/c1-2-18(23)21-11-9-14(10-12-21)20-17(22)8-5-13-24-16-7-4-3-6-15(16)19/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,22)
InChIKeyVSGLCDPBXQKLOB-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.02
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide

4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide (PubChem CID 108553694) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
PubChem CID108553694
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3/c1-2-18(23)21-11-9-14(10-12-21)20-17(22)8-5-13-24-16-7-4-3-6-15(16)19/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,22)
InChIKeyVSGLCDPBXQKLOB-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.02
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-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553543
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
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]-2-ethylbutanamide
CID 108555612
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide (CID 108553694) is 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide is CCC(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The InChIKey is VSGLCDPBXQKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-2-18(23)21-11-9-14(10-12-21)20-17(22)8-5-13-24-16-7-4-3-6-15(16)19/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,22).
What are the key properties of 4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide has a molecular weight of 352.86 g/mol, XLogP of 3.02, 7 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-propanoylpiperidin-4-yl)butanamide is sourced from PubChem (CID 108553694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).