N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

C24H29ClN2O4 — CID 108553430

IUPACN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C24H29ClN2O4/c1-17-5-8-20(9-6-17)31-15-3-4-23(28)26-19-11-13-27(14-12-19)24(29)21-16-18(25)7-10-22(21)30-2/h5-10,16,19H,3-4,11-15H2,1-2H3,(H,26,28)
InChIKeyXDVZNCZZWVIMCP-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.24
Rot. Bonds8

About N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 108553430) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
PubChem CID108553430
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C24H29ClN2O4/c1-17-5-8-20(9-6-17)31-15-3-4-23(28)26-19-11-13-27(14-12-19)24(29)21-16-18(25)7-10-22(21)30-2/h5-10,16,19H,3-4,11-15H2,1-2H3,(H,26,28)
InChIKeyXDVZNCZZWVIMCP-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
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-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553427
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569664
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (CID 108553430) is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is COc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CCCOc2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is XDVZNCZZWVIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-17-5-8-20(9-6-17)31-15-3-4-23(28)26-19-11-13-27(14-12-19)24(29)21-16-18(25)7-10-22(21)30-2/h5-10,16,19H,3-4,11-15H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 444.96 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 108553430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).