N-(4-cyanophenyl)formamide;4-methylpiperidine

C14H19N3O — CID 175001445

IUPACN-(4-cyanophenyl)formamide;4-methylpiperidine
SMILESCC1CCNCC1.N#Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H6N2O.C6H13N/c9-5-7-1-3-8(4-2-7)10-6-11;1-6-2-4-7-5-3-6/h1-4,6H,(H,10,11);6-7H,2-5H2,1H3
InChIKeyAGNDMVMZTWCYES-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds2

About N-(4-cyanophenyl)formamide;4-methylpiperidine

N-(4-cyanophenyl)formamide;4-methylpiperidine (PubChem CID 175001445) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)formamide;4-methylpiperidine.

Molecular Properties

Compound NameN-(4-cyanophenyl)formamide;4-methylpiperidine
PubChem CID175001445
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(4-cyanophenyl)formamide;4-methylpiperidine
SMILESCC1CCNCC1.N#Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H6N2O.C6H13N/c9-5-7-1-3-8(4-2-7)10-6-11;1-6-2-4-7-5-3-6/h1-4,6H,(H,10,11);6-7H,2-5H2,1H3
InChIKeyAGNDMVMZTWCYES-UHFFFAOYSA-N
XLogP2.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)formamide;4-methylpiperidine?
The IUPAC name of N-(4-cyanophenyl)formamide;4-methylpiperidine (CID 175001445) is N-(4-cyanophenyl)formamide;4-methylpiperidine.
What is the SMILES notation for N-(4-cyanophenyl)formamide;4-methylpiperidine?
The canonical SMILES for N-(4-cyanophenyl)formamide;4-methylpiperidine is CC1CCNCC1.N#Cc1ccc(NC=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)formamide;4-methylpiperidine?
The InChIKey is AGNDMVMZTWCYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C6H13N/c9-5-7-1-3-8(4-2-7)10-6-11;1-6-2-4-7-5-3-6/h1-4,6H,(H,10,11);6-7H,2-5H2,1H3.
What are the key properties of N-(4-cyanophenyl)formamide;4-methylpiperidine?
N-(4-cyanophenyl)formamide;4-methylpiperidine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)formamide;4-methylpiperidine is sourced from PubChem (CID 175001445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).