(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

C19H21FN6O2 — CID 126433374

IUPAC(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)NCc3cn[nH]c3-c3ccc(F)cc3)C2)no1
InChIInChI=1S/C19H21FN6O2/c1-12-23-18(25-28-12)14-3-2-8-26(11-14)19(27)21-9-15-10-22-24-17(15)13-4-6-16(20)7-5-13/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,21,27)(H,22,24)/t14-/m1/s1
InChIKeyRZLWMIPIOITCFN-CQSZACIVSA-N
MW384.42 g/mol
LogP3.00
Rot. Bonds4

About (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (PubChem CID 126433374) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
PubChem CID126433374
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)NCc3cn[nH]c3-c3ccc(F)cc3)C2)no1
InChIInChI=1S/C19H21FN6O2/c1-12-23-18(25-28-12)14-3-2-8-26(11-14)19(27)21-9-15-10-22-24-17(15)13-4-6-16(20)7-5-13/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,21,27)(H,22,24)/t14-/m1/s1
InChIKeyRZLWMIPIOITCFN-CQSZACIVSA-N
XLogP3.00
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (CID 126433374) is (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)NCc3cn[nH]c3-c3ccc(F)cc3)C2)no1.
What is the InChIKey of (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RZLWMIPIOITCFN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-12-23-18(25-28-12)14-3-2-8-26(11-14)19(27)21-9-15-10-22-24-17(15)13-4-6-16(20)7-5-13/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,21,27)(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126433374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).