4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

C17H19FN4O2 — CID 32510031

IUPAC4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCn1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H19FN4O2/c1-21-11-13(10-19-21)17(24)22-8-6-15(7-9-22)20-16(23)12-2-4-14(18)5-3-12/h2-5,10-11,15H,6-9H2,1H3,(H,20,23)
InChIKeyPUUGKQAGHAAODQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.59
Rot. Bonds3

About 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 32510031) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID32510031
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCn1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H19FN4O2/c1-21-11-13(10-19-21)17(24)22-8-6-15(7-9-22)20-16(23)12-2-4-14(18)5-3-12/h2-5,10-11,15H,6-9H2,1H3,(H,20,23)
InChIKeyPUUGKQAGHAAODQ-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isopropylbenzamide
CID 658362
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 5410782
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (CID 32510031) is 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is Cn1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is PUUGKQAGHAAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-11-13(10-19-21)17(24)22-8-6-15(7-9-22)20-16(23)12-2-4-14(18)5-3-12/h2-5,10-11,15H,6-9H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32510031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).