(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H21N3O — CID 119067424

IUPAC(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C15H21N3O/c19-15(18-5-1-2-11-16-6-7-17-11)14-12-9-3-4-10(8-9)13(12)14/h6-7,9-10,12-14H,1-5,8H2,(H,16,17)(H,18,19)/t9-,10+,12+,13-,14?
InChIKeyUAWXAARCOIOACB-YENVBVIYSA-N
MW259.35 g/mol
LogP1.75
Rot. Bonds5

About (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 119067424) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID119067424
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C15H21N3O/c19-15(18-5-1-2-11-16-6-7-17-11)14-12-9-3-4-10(8-9)13(12)14/h6-7,9-10,12-14H,1-5,8H2,(H,16,17)(H,18,19)/t9-,10+,12+,13-,14?
InChIKeyUAWXAARCOIOACB-YENVBVIYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
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
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 126835443
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962401
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112691041
N-[2-(1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115620232
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115621028
N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115668660
N-[1-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 116337444
N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 116338408
4,4-difluoro-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 116338992
N-[3-(1H-imidazol-2-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 116339197

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 119067424) is (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCCCc1ncc[nH]1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is UAWXAARCOIOACB-YENVBVIYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(18-5-1-2-11-16-6-7-17-11)14-12-9-3-4-10(8-9)13(12)14/h6-7,9-10,12-14H,1-5,8H2,(H,16,17)(H,18,19)/t9-,10+,12+,13-,14?.
What are the key properties of (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 119067424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).