4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide

C11H22N6O — CID 66189058

IUPAC4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1
InChIInChI=1S/C11H22N6O/c1-2-7-17-8-3-11(4-9-17,10(12)18)14-5-6-15-16-13/h14H,2-9H2,1H3,(H2,12,18)
InChIKeyWJJJQWVJWBYYTA-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.62
Rot. Bonds7

About 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide

4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide (PubChem CID 66189058) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide
PubChem CID66189058
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1
InChIInChI=1S/C11H22N6O/c1-2-7-17-8-3-11(4-9-17,10(12)18)14-5-6-15-16-13/h14H,2-9H2,1H3,(H2,12,18)
InChIKeyWJJJQWVJWBYYTA-UHFFFAOYSA-N
XLogP0.62
TPSA107.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide?
The IUPAC name of 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide (CID 66189058) is 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide?
The canonical SMILES for 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide is CCCN1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1.
What is the InChIKey of 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide?
The InChIKey is WJJJQWVJWBYYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-2-7-17-8-3-11(4-9-17,10(12)18)14-5-6-15-16-13/h14H,2-9H2,1H3,(H2,12,18).
What are the key properties of 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide?
4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide has a molecular weight of 254.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 66189058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).