1-acetyl-4-(pentylamino)piperidine-4-carbonitrile

C13H23N3O — CID 28703097

IUPAC1-acetyl-4-(pentylamino)piperidine-4-carbonitrile
SMILESCCCCCNC1(C#N)CCN(C(C)=O)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-8-15-13(11-14)6-9-16(10-7-13)12(2)17/h15H,3-10H2,1-2H3
InChIKeyQOQMUJHYYDOGOB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds5

About 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile

1-acetyl-4-(pentylamino)piperidine-4-carbonitrile (PubChem CID 28703097) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-acetyl-4-(pentylamino)piperidine-4-carbonitrile
PubChem CID28703097
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-acetyl-4-(pentylamino)piperidine-4-carbonitrile
SMILESCCCCCNC1(C#N)CCN(C(C)=O)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-8-15-13(11-14)6-9-16(10-7-13)12(2)17/h15H,3-10H2,1-2H3
InChIKeyQOQMUJHYYDOGOB-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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile (CID 28703097) is 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile is CCCCCNC1(C#N)CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile?
The InChIKey is QOQMUJHYYDOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-8-15-13(11-14)6-9-16(10-7-13)12(2)17/h15H,3-10H2,1-2H3.
What are the key properties of 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile?
1-acetyl-4-(pentylamino)piperidine-4-carbonitrile 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 1-acetyl-4-(pentylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 28703097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).