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

C23H26Cl2N2O3 — CID 108561216

IUPAC4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O3/c24-18-9-7-17(8-10-18)16-23(29)27-13-11-19(12-14-27)26-22(28)6-3-15-30-21-5-2-1-4-20(21)25/h1-2,4-5,7-10,19H,3,6,11-16H2,(H,26,28)
InChIKeyMTLMMNOWHCKUJW-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.50
Rot. Bonds8

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

4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide (PubChem CID 108561216) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
PubChem CID108561216
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O3/c24-18-9-7-17(8-10-18)16-23(29)27-13-11-19(12-14-27)26-22(28)6-3-15-30-21-5-2-1-4-20(21)25/h1-2,4-5,7-10,19H,3,6,11-16H2,(H,26,28)
InChIKeyMTLMMNOWHCKUJW-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.50
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]-3-phenylpropanamide
CID 108555450
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
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
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide (CID 108561216) is 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide?
The InChIKey is MTLMMNOWHCKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c24-18-9-7-17(8-10-18)16-23(29)27-13-11-19(12-14-27)26-22(28)6-3-15-30-21-5-2-1-4-20(21)25/h1-2,4-5,7-10,19H,3,6,11-16H2,(H,26,28).
What are the key properties of 4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide?
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide has a molecular weight of 449.38 g/mol, XLogP of 4.50, 8 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-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108561216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).