(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride

C14H19Cl2N5O2 — CID 119840711

IUPAC(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCCCN1
InChIInChI=1S/C14H17N5O2.2ClH/c20-14(11-3-1-2-6-16-11)17-9-12-18-13(19-21-12)10-4-7-15-8-5-10;;/h4-5,7-8,11,16H,1-3,6,9H2,(H,17,20);2*1H/t11-;;/m1../s1
InChIKeyRKVMTGAPOICTFB-NVJADKKVSA-N
MW360.25 g/mol
LogP1.73
Rot. Bonds4

About (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119840711) has the molecular formula C14H19Cl2N5O2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119840711
Molecular FormulaC14H19Cl2N5O2
Molecular Weight360.25 g/mol
Exact Mass359.09
IUPAC Name(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCCCN1
InChIInChI=1S/C14H17N5O2.2ClH/c20-14(11-3-1-2-6-16-11)17-9-12-18-13(19-21-12)10-4-7-15-8-5-10;;/h4-5,7-8,11,16H,1-3,6,9H2,(H,17,20);2*1H/t11-;;/m1../s1
InChIKeyRKVMTGAPOICTFB-NVJADKKVSA-N
XLogP1.73
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azepane-2-carboxamide;hydrochloride
CID 170355364
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 119840708
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride (CID 119840711) is (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is RKVMTGAPOICTFB-NVJADKKVSA-N. The full InChI is InChI=1S/C14H17N5O2.2ClH/c20-14(11-3-1-2-6-16-11)17-9-12-18-13(19-21-12)10-4-7-15-8-5-10;;/h4-5,7-8,11,16H,1-3,6,9H2,(H,17,20);2*1H/t11-;;/m1../s1.
What are the key properties of (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 360.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119840711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).