N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H21N3O — CID 2932382

IUPACN-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c18-14(13-9-11-2-3-12(13)8-11)16-4-1-6-17-7-5-15-10-17/h5,7,10-13H,1-4,6,8-9H2,(H,16,18)
InChIKeyAMPGTEOZFIESHK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.83
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2932382) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2932382
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c18-14(13-9-11-2-3-12(13)8-11)16-4-1-6-17-7-5-15-10-17/h5,7,10-13H,1-4,6,8-9H2,(H,16,18)
InChIKeyAMPGTEOZFIESHK-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.83
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-[N-(3-imidazolylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3244763
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
CID 4108958
2-cyclopentyl-N-(2-imidazol-1-ylethyl)acetamide
CID 47020068
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
N-(2-imidazol-1-ylcyclopentyl)cyclohexanecarboxamide
CID 56812384
4-(1H-imidazol-1-yl)-N-[(1S*,3aS*,6aS*)-octahydropentalen-1-yl]butanamide
CID 70754581
N-[2-(1H-imidazol-1-yl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 72891266
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
rac-(1R,2S,3r,4R,5S)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 119067424
rac-(1R,2S,3r,4R,5S)-N-[2-(1H-imidazol-2-yl)ethyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 121513116

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2932382) is N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCCn1ccnc1)C1CC2CCC1C2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AMPGTEOZFIESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(13-9-11-2-3-12(13)8-11)16-4-1-6-17-7-5-15-10-17/h5,7,10-13H,1-4,6,8-9H2,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-imidazol-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.83, 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)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).