4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid

C11H15FN4O3 — CID 90783148

IUPAC4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(F)CCN(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15FN4O3/c12-11(1-3-16(4-2-11)10(18)19)7-13-9(17)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,13,17)(H,14,15)(H,18,19)
InChIKeyIEBRPTAOIRBZNM-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.62
Rot. Bonds3

About 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid

4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 90783148) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID90783148
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(F)CCN(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15FN4O3/c12-11(1-3-16(4-2-11)10(18)19)7-13-9(17)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,13,17)(H,14,15)(H,18,19)
InChIKeyIEBRPTAOIRBZNM-UHFFFAOYSA-N
XLogP0.62
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-{2-[4-(Hydroxymethyl)piperidin-1-YL]ethyl}-1H-pyrazole-4-carboxamide
CID 91834316
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
1H-pyrazol-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071081
1H-pyrazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071083
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43603369
1-(1H-pyrazol-4-ylcarbonyl)-3-(trifluoromethyl)piperidine
CID 45169604

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 90783148) is 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1(F)CCN(C(=O)O)CC1)c1cn[nH]c1.
What is the InChIKey of 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is IEBRPTAOIRBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-11(1-3-16(4-2-11)10(18)19)7-13-9(17)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,13,17)(H,14,15)(H,18,19).
What are the key properties of 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90783148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).