N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide

C15H17N3O2 — CID 62654596

IUPACN-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCCC2C=O)cc1
InChIInChI=1S/C15H17N3O2/c16-9-12-4-6-13(7-5-12)17-15(20)10-18-8-2-1-3-14(18)11-19/h4-7,11,14H,1-3,8,10H2,(H,17,20)
InChIKeyKEXFZYBAKYULNQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.55
Rot. Bonds4

About N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide (PubChem CID 62654596) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
PubChem CID62654596
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCCC2C=O)cc1
InChIInChI=1S/C15H17N3O2/c16-9-12-4-6-13(7-5-12)17-15(20)10-18-8-2-1-3-14(18)11-19/h4-7,11,14H,1-3,8,10H2,(H,17,20)
InChIKeyKEXFZYBAKYULNQ-UHFFFAOYSA-N
XLogP1.55
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide (CID 62654596) is N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CCCCC2C=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The InChIKey is KEXFZYBAKYULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-12-4-6-13(7-5-12)17-15(20)10-18-8-2-1-3-14(18)11-19/h4-7,11,14H,1-3,8,10H2,(H,17,20).
What are the key properties of N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62654596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).