(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H20Cl2N4O2 — CID 120634138

IUPAC(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CCN1.Cl
InChIInChI=1S/C16H19ClN4O2.ClH/c1-10-7-12(5-6-18-10)16(22)19-9-14-20-15(21-23-14)11-3-2-4-13(17)8-11;/h2-4,8,10,12,18H,5-7,9H2,1H3,(H,19,22);1H/t10-,12-;/m0./s1
InChIKeyVEYZIMGISMCHTD-JGAZGGJJSA-N
MW371.27 g/mol
LogP2.82
Rot. Bonds4

About (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120634138) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120634138
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CCN1.Cl
InChIInChI=1S/C16H19ClN4O2.ClH/c1-10-7-12(5-6-18-10)16(22)19-9-14-20-15(21-23-14)11-3-2-4-13(17)8-11;/h2-4,8,10,12,18H,5-7,9H2,1H3,(H,19,22);1H/t10-,12-;/m0./s1
InChIKeyVEYZIMGISMCHTD-JGAZGGJJSA-N
XLogP2.82
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 125131397
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
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CID 95628511
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CID 119792078
(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide
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CID 119326195
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
CID 167892244
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787986
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120634138) is (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VEYZIMGISMCHTD-JGAZGGJJSA-N. The full InChI is InChI=1S/C16H19ClN4O2.ClH/c1-10-7-12(5-6-18-10)16(22)19-9-14-20-15(21-23-14)11-3-2-4-13(17)8-11;/h2-4,8,10,12,18H,5-7,9H2,1H3,(H,19,22);1H/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 371.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).