3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid

C10H13FN4O3 — CID 174702542

IUPAC3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1F)c1ncc[nH]1
InChIInChI=1S/C10H13FN4O3/c11-6-5-15(10(17)18)4-1-7(6)14-9(16)8-12-2-3-13-8/h2-3,6-7H,1,4-5H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyWKDPBHRUOHKHOM-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.23
Rot. Bonds2

About 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid

3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid (PubChem CID 174702542) has the molecular formula C10H13FN4O3 and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid
PubChem CID174702542
Molecular FormulaC10H13FN4O3
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1F)c1ncc[nH]1
InChIInChI=1S/C10H13FN4O3/c11-6-5-15(10(17)18)4-1-7(6)14-9(16)8-12-2-3-13-8/h2-3,6-7H,1,4-5H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyWKDPBHRUOHKHOM-UHFFFAOYSA-N
XLogP0.23
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
Piperidinocarbonylimidazole
CID 54177693
1-Cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one
CID 74242720
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75431153
tert-butyl (3S)-3-(1H-imidazol-2-ylmethylamino)piperidine-1-carboxylate
CID 84592204
1H-imidazol-2-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 164626946
1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
CID 164633874
(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 164637047
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide
CID 164638404
4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67236571
3-(2,2-difluoropropoxy)-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid
CID 174689541

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid (CID 174702542) is 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)CC1F)c1ncc[nH]1.
What is the InChIKey of 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid?
The InChIKey is WKDPBHRUOHKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O3/c11-6-5-15(10(17)18)4-1-7(6)14-9(16)8-12-2-3-13-8/h2-3,6-7H,1,4-5H2,(H,12,13)(H,14,16)(H,17,18).
What are the key properties of 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid?
3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1H-imidazole-2-carbonylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 174702542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).