1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C24H28ClN3O5 — CID 55924665

IUPAC1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C24H28ClN3O5/c1-16(29)17-7-9-20(21(13-17)32-2)33-12-4-6-23(30)28-11-3-5-18(15-28)24(31)27-22-10-8-19(25)14-26-22/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H,26,27,31)
InChIKeyYZCTYVGZIANWIV-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.98
Rot. Bonds9

About 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55924665) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55924665
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C24H28ClN3O5/c1-16(29)17-7-9-20(21(13-17)32-2)33-12-4-6-23(30)28-11-3-5-18(15-28)24(31)27-22-10-8-19(25)14-26-22/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H,26,27,31)
InChIKeyYZCTYVGZIANWIV-UHFFFAOYSA-N
XLogP3.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
4-(4-acetyl-2-methoxyphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119485550
N-(5-chloro-2-pyridinyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-4-carboxamide
CID 55923905
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 55815661
1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid
CID 119175739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55924665) is 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YZCTYVGZIANWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-16(29)17-7-9-20(21(13-17)32-2)33-12-4-6-23(30)28-11-3-5-18(15-28)24(31)27-22-10-8-19(25)14-26-22/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H,26,27,31).
What are the key properties of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55924665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).