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

C13H23N3O2 — CID 112728083

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-18-10-4-5-12(17)15-13(11-14)6-8-16(2)9-7-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyWSEDTRPDJJFVSS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds6

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

N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide (PubChem CID 112728083) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
PubChem CID112728083
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-18-10-4-5-12(17)15-13(11-14)6-8-16(2)9-7-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyWSEDTRPDJJFVSS-UHFFFAOYSA-N
XLogP0.91
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
3-butylsulfanyl-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 71874736
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclooctyl)octanamide
CID 60968683
(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 97204266
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid
CID 71564984
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide (CID 112728083) is N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide is CCOCCCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide?
The InChIKey is WSEDTRPDJJFVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-18-10-4-5-12(17)15-13(11-14)6-8-16(2)9-7-13/h3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide has a molecular weight of 253.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide is sourced from PubChem (CID 112728083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).