N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide

C12H19N3O — CID 4108958

IUPACN-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCC1
InChIInChI=1S/C12H19N3O/c16-12(11-4-1-2-5-11)14-6-3-8-15-9-7-13-10-15/h7,9-11H,1-6,8H2,(H,14,16)
InChIKeyQYUNSAFVJMKVOK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide

N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide (PubChem CID 4108958) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
PubChem CID4108958
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCC1
InChIInChI=1S/C12H19N3O/c16-12(11-4-1-2-5-11)14-6-3-8-15-9-7-13-10-15/h7,9-11H,1-6,8H2,(H,14,16)
InChIKeyQYUNSAFVJMKVOK-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
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 N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide (CID 4108958) is N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide is O=C(NCCCn1ccnc1)C1CCCC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide?
The InChIKey is QYUNSAFVJMKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(11-4-1-2-5-11)14-6-3-8-15-9-7-13-10-15/h7,9-11H,1-6,8H2,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide?
N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 4108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).