N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide

C24H29ClN2O3 — CID 39512383

IUPACN-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1cc(OCCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1Cl
InChIInChI=1S/C24H29ClN2O3/c1-17-6-3-4-7-21(17)24(29)26-19-11-13-27(14-12-19)23(28)8-5-15-30-20-9-10-22(25)18(2)16-20/h3-4,6-7,9-10,16,19H,5,8,11-15H2,1-2H3,(H,26,29)
InChIKeyHXYDFNKTPHBSHT-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.54
Rot. Bonds7

About N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39512383) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39512383
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1cc(OCCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1Cl
InChIInChI=1S/C24H29ClN2O3/c1-17-6-3-4-7-21(17)24(29)26-19-11-13-27(14-12-19)23(28)8-5-15-30-20-9-10-22(25)18(2)16-20/h3-4,6-7,9-10,16,19H,5,8,11-15H2,1-2H3,(H,26,29)
InChIKeyHXYDFNKTPHBSHT-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.54
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

2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
3-(4-chloro-3-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39418866
1-(4-acetyl-1,4-diazepan-1-yl)-4-(4-chloro-3-methylphenoxy)butan-1-one
CID 94485126
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-(4-chloro-3-methylphenoxy)butan-1-one
CID 124611382
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
4-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]butan-1-one
CID 134055781
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide (CID 39512383) is N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide is Cc1cc(OCCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1Cl.
What is the InChIKey of N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is HXYDFNKTPHBSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-17-6-3-4-7-21(17)24(29)26-19-11-13-27(14-12-19)23(28)8-5-15-30-20-9-10-22(25)18(2)16-20/h3-4,6-7,9-10,16,19H,5,8,11-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 428.96 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39512383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).