N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide

C22H25N3O3 — CID 55810081

IUPACN-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
SMILESC=CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-14-28-19-7-5-18(6-8-19)22(27)25-12-10-17(11-13-25)21(26)24-20-9-4-16(2)15-23-20/h3-9,15,17H,1,10-14H2,2H3,(H,23,24,26)
InChIKeyJNBRBHYLWSUAFO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.45
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55810081) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
PubChem CID55810081
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
SMILESC=CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-14-28-19-7-5-18(6-8-19)22(27)25-12-10-17(11-13-25)21(26)24-20-9-4-16(2)15-23-20/h3-9,15,17H,1,10-14H2,2H3,(H,23,24,26)
InChIKeyJNBRBHYLWSUAFO-UHFFFAOYSA-N
XLogP3.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809921
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87007164
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809801
N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55818555
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide (CID 55810081) is N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide is C=CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is JNBRBHYLWSUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-14-28-19-7-5-18(6-8-19)22(27)25-12-10-17(11-13-25)21(26)24-20-9-4-16(2)15-23-20/h3-9,15,17H,1,10-14H2,2H3,(H,23,24,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).