N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

C22H25ClN2O4 — CID 126025508

IUPACN-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C22H25ClN2O4/c1-14-7-8-16(23)13-17(14)24-21(26)15-9-11-25(12-10-15)22(27)20-18(28-2)5-4-6-19(20)29-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26)
InChIKeyYXVWJIMHWXPFAN-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.16
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126025508) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID126025508
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C22H25ClN2O4/c1-14-7-8-16(23)13-17(14)24-21(26)15-9-11-25(12-10-15)22(27)20-18(28-2)5-4-6-19(20)29-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26)
InChIKeyYXVWJIMHWXPFAN-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (CID 126025508) is N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is YXVWJIMHWXPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-14-7-8-16(23)13-17(14)24-21(26)15-9-11-25(12-10-15)22(27)20-18(28-2)5-4-6-19(20)29-3/h4-8,13,15H,9-12H2,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126025508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).