1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide

C20H24ClN3O4 — CID 47865084

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2c(C)noc2C)CC1
InChIInChI=1S/C20H24ClN3O4/c1-12-17(13(2)28-23-12)11-22-19(25)14-6-8-24(9-7-14)20(26)16-10-15(21)4-5-18(16)27-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyIDLZPKHZDRLHMS-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.12
Rot. Bonds5

About 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 47865084) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID47865084
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2c(C)noc2C)CC1
InChIInChI=1S/C20H24ClN3O4/c1-12-17(13(2)28-23-12)11-22-19(25)14-6-8-24(9-7-14)20(26)16-10-15(21)4-5-18(16)27-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyIDLZPKHZDRLHMS-UHFFFAOYSA-N
XLogP3.12
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 55899749
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55624520
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56502217
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
CID 55625377

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (CID 47865084) is 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2c(C)noc2C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is IDLZPKHZDRLHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-12-17(13(2)28-23-12)11-22-19(25)14-6-8-24(9-7-14)20(26)16-10-15(21)4-5-18(16)27-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,25).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 405.88 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47865084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).