1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H24ClN3O2 — CID 55992545

IUPAC1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)C=Cc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-7-10-24-20(13-15)25-22(28)18-8-11-26(12-9-18)21(27)6-5-17-4-3-16(2)19(23)14-17/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25,28)
InChIKeyZCYAIYPQWMBESV-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.24
Rot. Bonds4

About 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55992545) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55992545
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)C=Cc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-7-10-24-20(13-15)25-22(28)18-8-11-26(12-9-18)21(27)6-5-17-4-3-16(2)19(23)14-17/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25,28)
InChIKeyZCYAIYPQWMBESV-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252
N-(4-methyl-2-pyridinyl)-1-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 55813198
(E)-3-(3-chloro-4-methylphenyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)prop-2-en-1-one
CID 103900140
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26454873
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
CID 90467457
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931766
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091920
methyl 1-[3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 74873411

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55992545) is 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)C=Cc3ccc(C)c(Cl)c3)CC2)c1.
What is the InChIKey of 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ZCYAIYPQWMBESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-7-10-24-20(13-15)25-22(28)18-8-11-26(12-9-18)21(27)6-5-17-4-3-16(2)19(23)14-17/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25,28).
What are the key properties of 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55992545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).