N-(4-cyano-1-methylpiperidin-4-yl)hexanamide

C13H23N3O — CID 54904452

IUPACN-(4-cyano-1-methylpiperidin-4-yl)hexanamide
SMILESCCCCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-12(17)15-13(11-14)7-9-16(2)10-8-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyVMYKPOFCTHOSRR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds5

About N-(4-cyano-1-methylpiperidin-4-yl)hexanamide

N-(4-cyano-1-methylpiperidin-4-yl)hexanamide (PubChem CID 54904452) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)hexanamide
PubChem CID54904452
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)hexanamide
SMILESCCCCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-12(17)15-13(11-14)7-9-16(2)10-8-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyVMYKPOFCTHOSRR-UHFFFAOYSA-N
XLogP1.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butylsulfanyl-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 71874736
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclooctyl)octanamide
CID 60968683
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
CID 114752760
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 97204266
2-(4-cyano-1-methylpiperidin-4-yl)ethyl hexanoate
CID 174645989
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide
CID 138653989

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)hexanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)hexanamide (CID 54904452) is N-(4-cyano-1-methylpiperidin-4-yl)hexanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)hexanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)hexanamide is CCCCCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)hexanamide?
The InChIKey is VMYKPOFCTHOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-12(17)15-13(11-14)7-9-16(2)10-8-13/h3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)hexanamide?
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide has a molecular weight of 237.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)hexanamide is sourced from PubChem (CID 54904452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).