N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H20F2N4O — CID 154795512

IUPACN-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H20F2N4O/c18-13-4-5-14(19)12(11-13)6-8-20-17(24)23-10-2-1-3-16(23)15-7-9-21-22-15/h4-5,7,9,11,16H,1-3,6,8,10H2,(H,20,24)(H,21,22)
InChIKeyMAPBDRBFXJSQCG-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 154795512) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID154795512
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H20F2N4O/c18-13-4-5-14(19)12(11-13)6-8-20-17(24)23-10-2-1-3-16(23)15-7-9-21-22-15/h4-5,7,9,11,16H,1-3,6,8,10H2,(H,20,24)(H,21,22)
InChIKeyMAPBDRBFXJSQCG-UHFFFAOYSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylsulfinylphenyl)-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 154801582
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 154795512) is N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(NCCc1cc(F)ccc1F)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MAPBDRBFXJSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-13-4-5-14(19)12(11-13)6-8-20-17(24)23-10-2-1-3-16(23)15-7-9-21-22-15/h4-5,7,9,11,16H,1-3,6,8,10H2,(H,20,24)(H,21,22).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-2-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154795512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).