N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide

C22H30FN5O3S — CID 59164265

IUPACN-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1
InChIInChI=1S/C22H30FN5O3S/c1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29)
InChIKeyNAFJWKVSUDCJAJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.37
Rot. Bonds6

About N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide

N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 59164265) has the molecular formula C22H30FN5O3S and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
PubChem CID59164265
Molecular FormulaC22H30FN5O3S
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC NameN-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1
InChIInChI=1S/C22H30FN5O3S/c1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29)
InChIKeyNAFJWKVSUDCJAJ-UHFFFAOYSA-N
XLogP2.37
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide
CID 59164303
N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trifluorobenzamide
CID 59003504
(2,4-dichloro-5-fluorophenyl)-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methylamino]methanol
CID 163871871
(3S)-N-[3-(4-chlorophenyl)propyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51587994
(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95875451
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 45370708
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 24614549

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide (CID 59164265) is N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide is Cn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1.
What is the InChIKey of N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is NAFJWKVSUDCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O3S/c1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29).
What are the key properties of N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 59164265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).