[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate

C19H23N3O2 — CID 161060422

IUPAC[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(N2CCC(OC(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-6-16(7-4-14)22-11-9-17(10-12-22)24-19(23)21-18-8-5-15(2)13-20-18/h3-8,13,17H,9-12H2,1-2H3,(H,20,21,23)
InChIKeyVSUPJUAILLXZOK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.92
Rot. Bonds3

About [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate

[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate (PubChem CID 161060422) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
PubChem CID161060422
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(N2CCC(OC(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-6-16(7-4-14)22-11-9-17(10-12-22)24-19(23)21-18-8-5-15(2)13-20-18/h3-8,13,17H,9-12H2,1-2H3,(H,20,21,23)
InChIKeyVSUPJUAILLXZOK-UHFFFAOYSA-N
XLogP3.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
CID 113035718
(1-pyridin-2-ylpiperidin-4-yl) N-(5-hydroxy-2-pyridinyl)carbamate
CID 142622775
N-(5-methyl-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 163896529
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
3-[[N'-methyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111924268
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate?
The IUPAC name of [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate (CID 161060422) is [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate?
The canonical SMILES for [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate is Cc1ccc(N2CCC(OC(=O)Nc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate?
The InChIKey is VSUPJUAILLXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-3-6-16(7-4-14)22-11-9-17(10-12-22)24-19(23)21-18-8-5-15(2)13-20-18/h3-8,13,17H,9-12H2,1-2H3,(H,20,21,23).
What are the key properties of [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate?
[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 161060422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).