1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C21H21N3O3 — CID 38646862

IUPAC1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C21H21N3O3/c1-27-19-8-3-2-7-18(19)23-20(25)16-9-11-24(12-10-16)21(26)17-6-4-5-15(13-17)14-22/h2-8,13,16H,9-12H2,1H3,(H,23,25)
InChIKeyMDDUAOYEODRXIG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 38646862) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID38646862
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C21H21N3O3/c1-27-19-8-3-2-7-18(19)23-20(25)16-9-11-24(12-10-16)21(26)17-6-4-5-15(13-17)14-22/h2-8,13,16H,9-12H2,1H3,(H,23,25)
InChIKeyMDDUAOYEODRXIG-UHFFFAOYSA-N
XLogP3.06
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 38646862) is 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is MDDUAOYEODRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-19-8-3-2-7-18(19)23-20(25)16-9-11-24(12-10-16)21(26)17-6-4-5-15(13-17)14-22/h2-8,13,16H,9-12H2,1H3,(H,23,25).
What are the key properties of 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38646862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).