N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

C22H23N3O4 — CID 113008763

IUPACN-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H23N3O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-11-9-16(10-12-25)21(26)24-17-6-3-5-15(13-17)14-23/h3-8,13,16H,9-12H2,1-2H3,(H,24,26)
InChIKeyDLVNIPYLNMTOBO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.07
Rot. Bonds5

About N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 113008763) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID113008763
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H23N3O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-11-9-16(10-12-25)21(26)24-17-6-3-5-15(13-17)14-23/h3-8,13,16H,9-12H2,1-2H3,(H,24,26)
InChIKeyDLVNIPYLNMTOBO-UHFFFAOYSA-N
XLogP3.07
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
1-(3,5-dimethoxybenzoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55718668
1-[[1-(4-chloro-3-methoxyphenyl)piperidine-4-carbonyl]amino]-3-(3-cyanophenyl)thiourea
CID 155490677
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-(3-cyanophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163619
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (CID 113008763) is N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is DLVNIPYLNMTOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-11-9-16(10-12-25)21(26)24-17-6-3-5-15(13-17)14-23/h3-8,13,16H,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).