4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide

C22H25ClN2O4 — CID 108553708

IUPAC4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C22H25ClN2O4/c23-19-7-1-2-8-20(19)29-14-4-9-21(27)24-17-10-12-25(13-11-17)22(28)16-5-3-6-18(26)15-16/h1-3,5-8,15,17,26H,4,9-14H2,(H,24,27)
InChIKeyBFCBVQGTTFWBLU-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.63
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide

4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide (PubChem CID 108553708) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
PubChem CID108553708
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C22H25ClN2O4/c23-19-7-1-2-8-20(19)29-14-4-9-21(27)24-17-10-12-25(13-11-17)22(28)16-5-3-6-18(26)15-16/h1-3,5-8,15,17,26H,4,9-14H2,(H,24,27)
InChIKeyBFCBVQGTTFWBLU-UHFFFAOYSA-N
XLogP3.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
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
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide (CID 108553708) is 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide?
The InChIKey is BFCBVQGTTFWBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c23-19-7-1-2-8-20(19)29-14-4-9-21(27)24-17-10-12-25(13-11-17)22(28)16-5-3-6-18(26)15-16/h1-3,5-8,15,17,26H,4,9-14H2,(H,24,27).
What are the key properties of 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide?
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide has a molecular weight of 416.91 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).