(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C20H24ClFN4O2 — CID 26390940

IUPAC(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCOC1
InChIInChI=1S/C20H24ClFN4O2/c21-17-2-1-3-18(22)16(17)12-25-9-5-15(6-10-25)26-19(4-8-23-26)24-20(27)14-7-11-28-13-14/h1-4,8,14-15H,5-7,9-13H2,(H,24,27)/t14-/m1/s1
InChIKeyHPXMUQJSAYWFOI-CQSZACIVSA-N
MW406.89 g/mol
LogP3.49
Rot. Bonds5

About (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 26390940) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID26390940
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC Name(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCOC1
InChIInChI=1S/C20H24ClFN4O2/c21-17-2-1-3-18(22)16(17)12-25-9-5-15(6-10-25)26-19(4-8-23-26)24-20(27)14-7-11-28-13-14/h1-4,8,14-15H,5-7,9-13H2,(H,24,27)/t14-/m1/s1
InChIKeyHPXMUQJSAYWFOI-CQSZACIVSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45179421
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42378611
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42392111
N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45242836
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26321404

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 26390940) is (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is HPXMUQJSAYWFOI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClFN4O2/c21-17-2-1-3-18(22)16(17)12-25-9-5-15(6-10-25)26-19(4-8-23-26)24-20(27)14-7-11-28-13-14/h1-4,8,14-15H,5-7,9-13H2,(H,24,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 26390940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).